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(C2C=CC(C3C=CC=CC=3)=CC=2)=CC2OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC=3N(C3C4C=CC=CC=4C=CC=3)C=2C=1

Properties
CID	129057445
CAS	1987900-95-7
IUPAC-Name	10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
Abbreviation	Phen2
Trivialname	37-di(11'-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	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

Revision as of 06:53, 29 December 2023

‎

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 11: / Line 11: @@
 |moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-08292214042D
+   -INDIGO-12132211312D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 17: / Line 17: @@
 M  V30 COUNTS 48 56 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 5.43485 -1.95007 0.0 0
+M  V30 1 C 4.03719 -4.80901 0.0 0
-M  V30 2 C 7.16515 -1.94959 0.0 0
+M  V30 2 C 5.71793 -4.68897 0.0 0
-M  V30 3 C 6.30164 -1.44997 0.0 0
+M  V30 3 C 4.869 -4.26093 0.0 0
-M  V30 4 C 7.16515 -2.95053 0.0 0
+M  V30 4 C 5.76956 -5.7007 0.0 0
-M  V30 5 C 5.43485 -2.95502 0.0 0
+M  V30 5 C 4.0675 -5.8505 0.0 0
-M  V30 6 C 6.30382 -3.45003 0.0 0
+M  V30 6 C 4.95944 -6.25414 0.0 0
-M  V30 7 C 8.02965 -1.45121 0.0 0
+M  V30 7 N 6.5454 -4.05737 0.0 0
-M  V30 8 C 8.89683 -1.95155 0.0 0
+M  V30 8 C 7.43541 -4.62039 0.0 0
-M  V30 9 C 8.0358 -3.45287 0.0 0
+M  V30 9 O 6.65215 -6.129 0.0 0
-M  V30 10 C 8.89903 -2.94746 0.0 0
+M  V30 10 C 7.47698 -5.62566 0.0 0
-M  V30 11 C 5.45899 -4.69999 0.0 0
+M  V30 11 C 8.25686 -4.11474 0.0 0
-M  V30 12 C 5.45899 -5.70001 0.0 0
+M  V30 12 C 9.13626 -4.57924 0.0 0
-M  V30 13 O 6.325 -6.20001 0.0 0
+M  V30 13 C 8.35546 -6.09691 0.0 0
-M  V30 14 C 7.19101 -5.70001 0.0 0
+M  V30 14 C 9.219 -5.58639 0.0 0
-M  V30 15 C 7.19101 -4.69999 0.0 0
+M  V30 15 C 10.086 -6.21901 0.0 0
-M  V30 16 N 6.325 -4.19999 0.0 0
+M  V30 16 C 11.818 -6.52553 0.0 0
-M  V30 17 C 4.59529 -6.19792 0.0 0
+M  V30 17 C 11.0202 -5.88473 0.0 0
-M  V30 18 C 3.72891 -5.69805 0.0 0
+M  V30 18 C 11.6894 -7.5674 0.0 0
-M  V30 19 C 4.58914 -4.19812 0.0 0
+M  V30 19 C 9.96793 -7.22097 0.0 0
-M  V30 20 C 3.72671 -4.70306 0.0 0
+M  V30 20 C 10.7678 -7.87388 0.0 0
-M  V30 21 C 8.05471 -4.20208 0.0 0
+M  V30 21 C 12.5001 -8.25494 0.0 0
-M  V30 22 C 8.92109 -4.70195 0.0 0
+M  V30 22 C 14.1899 -8.61261 0.0 0
-M  V30 23 C 8.06086 -6.20188 0.0 0
+M  V30 23 C 13.4337 -7.96627 0.0 0
-M  V30 24 C 8.92329 -5.69694 0.0 0
+M  V30 24 C 14.0381 -9.5616 0.0 0
-M  V30 25 C 9.78931 -6.19694 0.0 0
+M  V30 25 C 12.3633 -9.2953 0.0 0
-M  V30 26 C 11.5196 -6.19529 0.0 0
+M  V30 26 C 13.1489 -9.91797 0.0 0
-M  V30 27 C 10.6558 -5.69625 0.0 0
+M  V30 27 C 1.69302 -6.99297 0.0 0
-M  V30 28 C 11.5203 -7.19624 0.0 0
+M  V30 28 C 3.30886 -6.48918 0.0 0
-M  V30 29 C 9.78999 -7.20188 0.0 0
+M  V30 29 C 2.39038 -6.28041 0.0 0
-M  V30 30 C 10.6593 -7.69631 0.0 0
+M  V30 30 C 3.55288 -7.47778 0.0 0
-M  V30 31 C 12.3863 -7.69624 0.0 0
+M  V30 31 C 1.94211 -7.97398 0.0 0
-M  V30 32 C 14.1166 -7.69459 0.0 0
+M  V30 32 C 2.85841 -8.18925 0.0 0
-M  V30 33 C 13.2528 -7.19555 0.0 0
+M  V30 33 C -0.364828 -9.10174 0.0 0
-M  V30 34 C 14.1173 -8.69553 0.0 0
+M  V30 34 C 1.25547 -8.6624 0.0 0
-M  V30 35 C 12.387 -8.70118 0.0 0
+M  V30 35 C 0.342485 -8.42423 0.0 0
-M  V30 36 C 13.2563 -9.19561 0.0 0
+M  V30 36 C 1.47751 -9.6572 0.0 0
-M  V30 37 C 2.86289 -6.19805 0.0 0
+M  V30 37 C -0.151173 -10.0352 0.0 0
-M  V30 38 C 1.99916 -7.69736 0.0 0
+M  V30 38 C 0.76444 -10.3236 0.0 0
-M  V30 39 C 2.86327 -7.19876 0.0 0
+M  V30 39 C 5.63752 -1.25497 0.0 0
-M  V30 40 C 1.13198 -7.19747 0.0 0
+M  V30 40 C 7.3359 -1.26278 0.0 0
-M  V30 41 C 1.99224 -5.69616 0.0 0
+M  V30 41 C 6.48221 -0.779005 0.0 0
-M  V30 42 C 1.1294 -6.20178 0.0 0
+M  V30 42 C 7.34346 -2.28039 0.0 0
-M  V30 43 C 0.291059 -7.85629 0.0 0
+M  V30 43 C 5.61899 -2.27884 0.0 0
-M  V30 44 C -0.572666 -9.35559 0.0 0
+M  V30 44 C 6.50104 -2.87031 0.0 0
-M  V30 45 C 0.291442 -8.857 0.0 0
+M  V30 45 C 8.17669 -0.755127 0.0 0
-M  V30 46 C -1.43984 -8.8557 0.0 0
+M  V30 46 C 9.03041 -1.24419 0.0 0
-M  V30 47 C -0.579586 -7.3544 0.0 0
+M  V30 47 C 8.20106 -2.73313 0.0 0
-M  V30 48 C -1.44243 -7.86002 0.0 0
+M  V30 48 C 9.03418 -2.21637 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 73: / Line 73: @@
 M  V30 5 2 5 6
 M  V30 6 1 6 4
-M  V30 7 2 8 7
+M  V30 7 1 8 7
 M  V30 8 1 4 9
 M  V30 9 1 7 2
-M  V30 10 2 9 10
+M  V30 10 1 9 10
-M  V30 11 1 10 8
+M  V30 11 2 10 8
-M  V30 12 1 11 16
+M  V30 12 2 12 11
-M  V30 13 2 11 12
+M  V30 13 1 10 13
-M  V30 14 1 12 13
+M  V30 14 1 11 8
-M  V30 15 1 13 14
+M  V30 15 2 13 14
-M  V30 16 2 14 15
+M  V30 16 1 14 12
-M  V30 17 1 15 16
+M  V30 17 2 17 15
-M  V30 18 2 18 17
+M  V30 18 2 18 16
-M  V30 19 1 11 19
+M  V30 19 1 15 19
-M  V30 20 1 17 12
+M  V30 20 1 16 17
 M  V30 21 2 19 20
 M  V30 22 1 20 18
-M  V30 23 2 22 21
+M  V30 23 2 23 21
-M  V30 24 1 14 23
+M  V30 24 2 24 22
-M  V30 25 1 21 15
+M  V30 25 1 21 25
-M  V30 26 2 23 24
+M  V30 26 1 22 23
-M  V30 27 1 24 22
+M  V30 27 2 25 26
-M  V30 28 1 24 25
+M  V30 28 1 26 24
-M  V30 29 2 27 25
+M  V30 29 2 29 27
-M  V30 30 2 28 26
+M  V30 30 2 30 28
-M  V30 31 1 25 29
+M  V30 31 1 27 31
-M  V30 32 1 26 27
+M  V30 32 1 28 29
-M  V30 33 2 29 30
+M  V30 33 2 31 32
-M  V30 34 1 30 28
+M  V30 34 1 32 30
-M  V30 35 1 28 31
+M  V30 35 2 35 33
-M  V30 36 2 33 31
+M  V30 36 2 36 34
-M  V30 37 2 34 32
+M  V30 37 1 33 37
-M  V30 38 1 31 35
+M  V30 38 1 34 35
-M  V30 39 1 32 33
+M  V30 39 2 37 38
-M  V30 40 2 35 36
+M  V30 40 1 38 36
-M  V30 41 1 36 34
+M  V30 41 2 41 39
-M  V30 42 1 18 37
+M  V30 42 2 42 40
-M  V30 43 2 39 37
+M  V30 43 1 39 43
-M  V30 44 2 40 38
+M  V30 44 1 40 41
-M  V30 45 1 37 41
+M  V30 45 2 43 44
-M  V30 46 1 38 39
+M  V30 46 1 44 42
-M  V30 47 2 41 42
+M  V30 47 2 46 45
-M  V30 48 1 42 40
+M  V30 48 1 42 47
-M  V30 49 1 40 43
+M  V30 49 1 45 40
-M  V30 50 2 45 43
+M  V30 50 2 47 48
-M  V30 51 2 46 44
+M  V30 51 1 48 46
-M  V30 52 1 43 47
+M  V30 52 1 5 28
-M  V30 53 1 44 45
+M  V30 53 1 31 34
-M  V30 54 2 47 48
+M  V30 54 1 14 15
-M  V30 55 1 48 46
+M  V30 55 1 18 21
-M  V30 56 1 16 6
+M  V30 56 1 7 44
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|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
+|smiles=C1C(C2C=CC(C3C=CC=CC=3)=CC=2)=CC2OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC=3N(C3C4C=CC=CC=4C=CC=3)C=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

Molecule:100493: Difference between revisions

Revision as of 06:53, 29 December 2023

Molecule is used on following pages

Current site

Topics