Molecule:100493: Difference between revisions

InChI	1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H
InChI-Key	IGGSSEOAGCUGDJ-UHFFFAOYSA-N
SMILES	C1C=C(N2C3C=CC(C4C=CC(C5C=CC=CC=5)=CC=4)=CC=3OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC2=3)C2C=CC=CC=2C=1

Properties
CID	129057445
CAS	1987900-95-7
IUPAC-Name	10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
Abbreviation	n/a
Trivialname	3,7-Di((1,1'-biphenyl)-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine
Exact mass	613.240564612
Molecular formula	C46H31NO
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	[[Synonym::3,7-Di([1,1'-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine]], HENO_1NAPH_BIPH, SCHEMBL18770801, AT25798, CS-0105661, J3.651.780H, 3,7-Bis(biphenyl-4-yl)-10-(1-naphthyl)-10H-phenoxazine, 3,7-Di(4-biphenyl) 1-naphthalene-10-phenoxazine, >=97%, [[Synonym::3,7-Di([1,1 inverted exclamation marka-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine]]

Latest revision as of 14:11, 18 October 2024

‎

3,7-Di((1,1'-biphenyl)-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Phenoxazine-Sensitized CO2-to-CO Reduction with an Iron Porphyrin Catalyst: A Redox Properties-Catalytic Performance Study
Visible-Light-Driven Conversion of CO2 to CH4 with an Organic Sensitizer and an Iron Porphyrin Catalyst

investigation

Phenoxazine-Sensitized CO2-to-CO Reduction with an Iron Porphyrin Catalyst: A Redox Properties-Catalytic Performance Study/Table 1
Visible-Light-Driven Conversion of CO2 to CH4 with an Organic Sensitizer and an Iron Porphyrin Catalyst/Photocatalytic reduction of CO2
Visible-Light-Driven Conversion of CO2 to CH4 with an Organic Sensitizer and an Iron Porphyrin Catalyst/Photocatalytic reduction of CO

other

@@ Line 1: / Line 1: @@
 {{Molecule
-|abbrev=Phen2
+|trivialname=3,7-Di((1,1'-biphenyl)-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine
-|trivialname=37-di(11'-biphenyl-4-yl)-10-(naphthalen-1-yl)-10h-phenoxazine
 |cid=129057445
 |iupacName=10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
 |molecularMass=613.240564612
 |molecularFormula=C<sub>46</sub>H<sub>31</sub>NO
-|synonyms=37-di(11'-biphenyl-4-yl)-10-(naphthalen-1-yl)-10h-phenoxazine,heno_1naph_biph,schembl18770801,at25798,cs-0105661,j3.651.780h,37-bis(biphenyl-4-yl)-10-(1-naphthyl)-10h-phenoxazine,37-di(4-biphenyl) 1-naphthalene-10-phenoxazine >=97%,37-di(11 inverted exclamation marka-biphenyl-4-yl)-10-(naphthalen-1-yl)-10h-phenoxazine
+|synonyms=3,7-Di([1,1'-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine$HENO_1NAPH_BIPH$SCHEMBL18770801$AT25798$CS-0105661$J3.651.780H$3,7-Bis(biphenyl-4-yl)-10-(1-naphthyl)-10H-phenoxazine$3,7-Di(4-biphenyl) 1-naphthalene-10-phenoxazine, >=97%$3,7-Di([1,1 inverted exclamation marka-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine
 |cas=1987900-95-7
 |hasVendors=true
 |moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-07072219222D
+   -INDIGO-08292214042D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 17: / Line 16: @@
 M  V30 COUNTS 48 56 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 5.9 -3.89999 0.0 0
+M  V30 1 C 5.43485 -1.95007 0.0 0
-M  V30 2 C 6.76601 -4.39999 0.0 0
+M  V30 2 C 7.16515 -1.94959 0.0 0
-M  V30 3 C 6.76601 -5.40001 0.0 0
+M  V30 3 C 6.30164 -1.44997 0.0 0
-M  V30 4 C 5.9 -5.90001 0.0 0
+M  V30 4 C 7.16515 -2.95053 0.0 0
-M  V30 5 C 5.03399 -5.40001 0.0 0
+M  V30 5 C 5.43485 -2.95502 0.0 0
-M  V30 6 C 5.03399 -4.39999 0.0 0
+M  V30 6 C 6.30382 -3.45003 0.0 0
-M  V30 7 N 7.63206 -3.89996 0.0 0
+M  V30 7 C 8.02965 -1.45121 0.0 0
-M  V30 8 C 8.49811 -4.39995 0.0 0
+M  V30 8 C 8.89683 -1.95155 0.0 0
-M  V30 9 C 8.49811 -5.39996 0.0 0
+M  V30 9 C 8.0358 -3.45287 0.0 0
-M  V30 10 O 7.63206 -5.89999 0.0 0
+M  V30 10 C 8.89903 -2.94746 0.0 0
-M  V30 11 C 9.36417 -3.89992 0.0 0
+M  V30 11 C 5.45899 -4.69999 0.0 0
-M  V30 12 C 10.2302 -4.3999 0.0 0
+M  V30 12 C 5.45899 -5.70001 0.0 0
-M  V30 13 C 10.2302 -5.39992 0.0 0
+M  V30 13 O 6.325 -6.20001 0.0 0
-M  V30 14 C 9.36417 -5.89995 0.0 0
+M  V30 14 C 7.19101 -5.70001 0.0 0
-M  V30 15 C 7.63204 -2.89996 0.0 0
+M  V30 15 C 7.19101 -4.69999 0.0 0
-M  V30 16 C 6.76603 -2.39996 0.0 0
+M  V30 16 N 6.325 -4.19999 0.0 0
-M  V30 17 C 6.76603 -1.39994 0.0 0
+M  V30 17 C 4.59529 -6.19792 0.0 0
-M  V30 18 C 7.63204 -0.899934 0.0 0
+M  V30 18 C 3.72891 -5.69805 0.0 0
-M  V30 19 C 8.49806 -1.39994 0.0 0
+M  V30 19 C 4.58914 -4.19812 0.0 0
-M  V30 20 C 8.49806 -2.39996 0.0 0
+M  V30 20 C 3.72671 -4.70306 0.0 0
-M  V30 21 C 9.36411 -0.899912 0.0 0
+M  V30 21 C 8.05471 -4.20208 0.0 0
-M  V30 22 C 10.2302 -1.3999 0.0 0
+M  V30 22 C 8.92109 -4.70195 0.0 0
-M  V30 23 C 10.2302 -2.39991 0.0 0
+M  V30 23 C 8.06086 -6.20188 0.0 0
-M  V30 24 C 9.36411 -2.89994 0.0 0
+M  V30 24 C 8.92329 -5.69694 0.0 0
-M  V30 25 C 4.16796 -5.9 0.0 0
+M  V30 25 C 9.78931 -6.19694 0.0 0
-M  V30 26 C 11.0962 -5.89991 0.0 0
+M  V30 26 C 11.5196 -6.19529 0.0 0
-M  V30 27 C 4.16795 -6.89999 0.0 0
+M  V30 27 C 10.6558 -5.69625 0.0 0
-M  V30 28 C 3.30191 -7.4 0.0 0
+M  V30 28 C 11.5203 -7.19624 0.0 0
-M  V30 29 C 2.43588 -6.90002 0.0 0
+M  V30 29 C 9.78999 -7.20188 0.0 0
-M  V30 30 C 2.4359 -5.90002 0.0 0
+M  V30 30 C 10.6593 -7.69631 0.0 0
-M  V30 31 C 3.30193 -5.40002 0.0 0
+M  V30 31 C 12.3863 -7.69624 0.0 0
-M  V30 32 C 11.9623 -5.39993 0.0 0
+M  V30 32 C 14.1166 -7.69459 0.0 0
-M  V30 33 C 12.8283 -5.89994 0.0 0
+M  V30 33 C 13.2528 -7.19555 0.0 0
-M  V30 34 C 12.8283 -6.89993 0.0 0
+M  V30 34 C 14.1173 -8.69553 0.0 0
-M  V30 35 C 11.9623 -7.39991 0.0 0
+M  V30 35 C 12.387 -8.70118 0.0 0
-M  V30 36 C 11.0963 -6.89991 0.0 0
+M  V30 36 C 13.2563 -9.19561 0.0 0
-M  V30 37 C 1.56986 -7.40002 0.0 0
+M  V30 37 C 2.86289 -6.19805 0.0 0
-M  V30 38 C 13.6943 -7.39993 0.0 0
+M  V30 38 C 1.99916 -7.69736 0.0 0
-M  V30 39 C 1.56984 -8.40001 0.0 0
+M  V30 39 C 2.86327 -7.19876 0.0 0
-M  V30 40 C 0.703806 -8.90002 0.0 0
+M  V30 40 C 1.13198 -7.19747 0.0 0
-M  V30 41 C -0.162219 -8.40003 0.0 0
+M  V30 41 C 1.99224 -5.69616 0.0 0
-M  V30 42 C -0.162206 -7.40004 0.0 0
+M  V30 42 C 1.1294 -6.20178 0.0 0
-M  V30 43 C 0.703832 -6.90003 0.0 0
+M  V30 43 C 0.291059 -7.85629 0.0 0
-M  V30 44 C 14.5604 -6.89994 0.0 0
+M  V30 44 C -0.572666 -9.35559 0.0 0
-M  V30 45 C 15.4264 -7.39995 0.0 0
+M  V30 45 C 0.291442 -8.857 0.0 0
-M  V30 46 C 15.4264 -8.39994 0.0 0
+M  V30 46 C -1.43984 -8.8557 0.0 0
-M  V30 47 C 14.5604 -8.89993 0.0 0
+M  V30 47 C -0.579586 -7.3544 0.0 0
-M  V30 48 C 13.6944 -8.39992 0.0 0
+M  V30 48 C -1.44243 -7.86002 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 2 3 1
-M  V30 2 2 2 3
+M  V30 2 2 4 2
-M  V30 3 1 3 4
+M  V30 3 1 1 5
-M  V30 4 2 4 5
+M  V30 4 1 2 3
-M  V30 5 1 5 6
+M  V30 5 2 5 6
-M  V30 6 2 6 1
+M  V30 6 1 6 4
-M  V30 7 1 2 7
+M  V30 7 2 8 7
-M  V30 8 1 7 8
+M  V30 8 1 4 9
-M  V30 9 1 8 9
+M  V30 9 1 7 2
-M  V30 10 1 9 10
+M  V30 10 2 9 10
-M  V30 11 1 10 3
+M  V30 11 1 10 8
-M  V30 12 2 8 11
+M  V30 12 1 11 16
-M  V30 13 1 11 12
+M  V30 13 2 11 12
-M  V30 14 2 12 13
+M  V30 14 1 12 13
 M  V30 15 1 13 14
-M  V30 16 2 14 9
+M  V30 16 2 14 15
-M  V30 17 1 7 15
+M  V30 17 1 15 16
-M  V30 18 1 15 16
+M  V30 18 2 18 17
-M  V30 19 2 16 17
+M  V30 19 1 11 19
-M  V30 20 1 17 18
+M  V30 20 1 17 12
-M  V30 21 2 18 19
+M  V30 21 2 19 20
-M  V30 22 1 19 20
+M  V30 22 1 20 18
-M  V30 23 2 20 15
+M  V30 23 2 22 21
-M  V30 24 1 19 21
+M  V30 24 1 14 23
-M  V30 25 2 21 22
+M  V30 25 1 21 15
-M  V30 26 1 22 23
+M  V30 26 2 23 24
-M  V30 27 2 23 24
+M  V30 27 1 24 22
-M  V30 28 1 24 20
+M  V30 28 1 24 25
-M  V30 29 1 5 25
+M  V30 29 2 27 25
-M  V30 30 1 13 26
+M  V30 30 2 28 26
-M  V30 31 1 25 27
+M  V30 31 1 25 29
-M  V30 32 2 27 28
+M  V30 32 1 26 27
-M  V30 33 1 28 29
+M  V30 33 2 29 30
-M  V30 34 2 29 30
+M  V30 34 1 30 28
-M  V30 35 1 30 31
+M  V30 35 1 28 31
-M  V30 36 2 31 25
+M  V30 36 2 33 31
-M  V30 37 1 26 32
+M  V30 37 2 34 32
-M  V30 38 2 32 33
+M  V30 38 1 31 35
-M  V30 39 1 33 34
+M  V30 39 1 32 33
-M  V30 40 2 34 35
+M  V30 40 2 35 36
-M  V30 41 1 35 36
+M  V30 41 1 36 34
-M  V30 42 2 36 26
+M  V30 42 1 18 37
-M  V30 43 1 29 37
+M  V30 43 2 39 37
-M  V30 44 1 34 38
+M  V30 44 2 40 38
-M  V30 45 1 37 39
+M  V30 45 1 37 41
-M  V30 46 2 39 40
+M  V30 46 1 38 39
-M  V30 47 1 40 41
+M  V30 47 2 41 42
-M  V30 48 2 41 42
+M  V30 48 1 42 40
-M  V30 49 1 42 43
+M  V30 49 1 40 43
-M  V30 50 2 43 37
+M  V30 50 2 45 43
-M  V30 51 1 38 44
+M  V30 51 2 46 44
-M  V30 52 2 44 45
+M  V30 52 1 43 47
-M  V30 53 1 45 46
+M  V30 53 1 44 45
-M  V30 54 2 46 47
+M  V30 54 2 47 48
-M  V30 55 1 47 48
+M  V30 55 1 48 46
-M  V30 56 2 48 38
+M  V30 56 1 16 6
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C1=CC(C2=CC=C(C3=CC=CC=C3)C=C2)=CC2OC3=CC(C4=CC=C(C5=CC=CC=C5)C=C4)=CC=C3N(C3=C4C=CC=CC4=CC=C3)C1=2
+|smiles=C1C=C(N2C3C=CC(C4C=CC(C5C=CC=CC=5)=CC=4)=CC=3OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC2=3)C2C=CC=CC=2C=1
 |inchi=1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H
 |inchikey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
@@ Line 133: / Line 132: @@
 |float=none
 |logP=
+|abbrev=
 |parent=
 }}

Molecule:100493: Difference between revisions

Latest revision as of 14:11, 18 October 2024

Molecule is used on following pages

Current site

Topics