Molecule:100493: Difference between revisions

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molecule
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{{Molecule
{{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
|cid=129057445
|iupacName=10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
|iupacName=10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
|molecularMass=613.240564612
|molecularMass=613.240564612
|molecularFormula=C<sub>46</sub>H<sub>31</sub>NO
|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
|cas=1987900-95-7
|hasVendors=true
|hasVendors=true
|moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-01042421392D
   -INDIGO-08292214042D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  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 COUNTS 48 56 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 9.13485 -5.55007 0.0 0
M  V30 1 C 5.43485 -1.95007 0.0 0
M  V30 2 C 10.8652 -5.54959 0.0 0
M  V30 2 C 7.16515 -1.94959 0.0 0
M  V30 3 C 10.0016 -5.04997 0.0 0
M  V30 3 C 6.30164 -1.44997 0.0 0
M  V30 4 C 10.8652 -6.55053 0.0 0
M  V30 4 C 7.16515 -2.95053 0.0 0
M  V30 5 C 9.13485 -6.55502 0.0 0
M  V30 5 C 5.43485 -2.95502 0.0 0
M  V30 6 C 10.0038 -7.05003 0.0 0
M  V30 6 C 6.30382 -3.45003 0.0 0
M  V30 7 N 11.7296 -5.05121 0.0 0
M  V30 7 C 8.02965 -1.45121 0.0 0
M  V30 8 C 12.5968 -5.55155 0.0 0
M  V30 8 C 8.89683 -1.95155 0.0 0
M  V30 9 O 11.7358 -7.05287 0.0 0
M  V30 9 C 8.0358 -3.45287 0.0 0
M  V30 10 C 12.599 -6.54746 0.0 0
M  V30 10 C 8.89903 -2.94746 0.0 0
M  V30 11 C 13.4559 -5.05378 0.0 0
M  V30 11 C 5.45899 -4.69999 0.0 0
M  V30 12 C 14.3198 -5.54969 0.0 0
M  V30 12 C 5.45899 -5.70001 0.0 0
M  V30 13 C 13.4664 -7.04535 0.0 0
M  V30 13 O 6.325 -6.20001 0.0 0
M  V30 14 C 14.3242 -6.54059 0.0 0
M  V30 14 C 7.19101 -5.70001 0.0 0
M  V30 15 C 11.7298 -4.05121 0.0 0
M  V30 15 C 7.19101 -4.69999 0.0 0
M  V30 16 C 10.8632 -2.55355 0.0 0
M  V30 16 N 6.325 -4.19999 0.0 0
M  V30 17 C 10.863 -3.55119 0.0 0
M  V30 17 C 4.59529 -6.19792 0.0 0
M  V30 18 C 11.7298 -2.0525 0.0 0
M  V30 18 C 3.72891 -5.69805 0.0 0
M  V30 19 C 12.5998 -3.54816 0.0 0
M  V30 19 C 4.58914 -4.19812 0.0 0
M  V30 20 C 12.5933 -2.5481 0.0 0
M  V30 20 C 3.72671 -4.70306 0.0 0
M  V30 21 C 13.4538 -2.04459 0.0 0
M  V30 21 C 8.05471 -4.20208 0.0 0
M  V30 22 C 14.3235 -2.53888 0.0 0
M  V30 22 C 8.92109 -4.70195 0.0 0
M  V30 23 C 13.4729 -4.04443 0.0 0
M  V30 23 C 8.06086 -6.20188 0.0 0
M  V30 24 C 14.3321 -3.53389 0.0 0
M  V30 24 C 8.92329 -5.69694 0.0 0
M  V30 25 C 15.1934 -7.03507 0.0 0
M  V30 25 C 9.78931 -6.19694 0.0 0
M  V30 26 C 8.27028 -7.05753 0.0 0
M  V30 26 C 11.5196 -6.19529 0.0 0
M  V30 27 C 7.40655 -8.55683 0.0 0
M  V30 27 C 10.6558 -5.69625 0.0 0
M  V30 28 C 8.27066 -8.05824 0.0 0
M  V30 28 C 11.5203 -7.19624 0.0 0
M  V30 29 C 6.53937 -8.05694 0.0 0
M  V30 29 C 9.78999 -7.20188 0.0 0
M  V30 30 C 7.39963 -6.55564 0.0 0
M  V30 30 C 10.6593 -7.69631 0.0 0
M  V30 31 C 6.53679 -7.06126 0.0 0
M  V30 31 C 12.3863 -7.69624 0.0 0
M  V30 32 C 16.9237 -7.03342 0.0 0
M  V30 32 C 14.1166 -7.69459 0.0 0
M  V30 33 C 16.0598 -6.53438 0.0 0
M  V30 33 C 13.2528 -7.19555 0.0 0
M  V30 34 C 16.9244 -8.03437 0.0 0
M  V30 34 C 14.1173 -8.69553 0.0 0
M  V30 35 C 15.1941 -8.04002 0.0 0
M  V30 35 C 12.387 -8.70118 0.0 0
M  V30 36 C 16.0634 -8.53445 0.0 0
M  V30 36 C 13.2563 -9.19561 0.0 0
M  V30 37 C 17.7912 -8.53295 0.0 0
M  V30 37 C 2.86289 -6.19805 0.0 0
M  V30 38 C 5.67416 -8.55836 0.0 0
M  V30 38 C 1.99916 -7.69736 0.0 0
M  V30 39 C 19.5215 -8.53131 0.0 0
M  V30 39 C 2.86327 -7.19876 0.0 0
M  V30 40 C 18.6576 -8.03226 0.0 0
M  V30 40 C 1.13198 -7.19747 0.0 0
M  V30 41 C 19.5222 -9.53225 0.0 0
M  V30 41 C 1.99224 -5.69616 0.0 0
M  V30 42 C 17.7919 -9.5379 0.0 0
M  V30 42 C 1.1294 -6.20178 0.0 0
M  V30 43 C 18.6612 -10.0323 0.0 0
M  V30 43 C 0.291059 -7.85629 0.0 0
M  V30 44 C 4.81044 -10.0577 0.0 0
M  V30 44 C -0.572666 -9.35559 0.0 0
M  V30 45 C 5.67455 -9.55907 0.0 0
M  V30 45 C 0.291442 -8.857 0.0 0
M  V30 46 C 3.94326 -9.55777 0.0 0
M  V30 46 C -1.43984 -8.8557 0.0 0
M  V30 47 C 4.80352 -8.05647 0.0 0
M  V30 47 C -0.579586 -7.3544 0.0 0
M  V30 48 C 3.94068 -8.56209 0.0 0
M  V30 48 C -1.44243 -7.86002 0.0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 73: Line 72:
M  V30 5 2 5 6
M  V30 5 2 5 6
M  V30 6 1 6 4
M  V30 6 1 6 4
M  V30 7 1 8 7
M  V30 7 2 8 7
M  V30 8 1 4 9
M  V30 8 1 4 9
M  V30 9 1 7 2
M  V30 9 1 7 2
M  V30 10 1 9 10
M  V30 10 2 9 10
M  V30 11 2 10 8
M  V30 11 1 10 8
M  V30 12 2 12 11
M  V30 12 1 11 16
M  V30 13 1 10 13
M  V30 13 2 11 12
M  V30 14 1 11 8
M  V30 14 1 12 13
M  V30 15 2 13 14
M  V30 15 1 13 14
M  V30 16 1 14 12
M  V30 16 2 14 15
M  V30 17 1 7 15
M  V30 17 1 15 16
M  V30 18 2 17 15
M  V30 18 2 18 17
M  V30 19 2 18 16
M  V30 19 1 11 19
M  V30 20 1 15 19
M  V30 20 1 17 12
M  V30 21 1 16 17
M  V30 21 2 19 20
M  V30 22 2 19 20
M  V30 22 1 20 18
M  V30 23 1 20 18
M  V30 23 2 22 21
M  V30 24 2 22 21
M  V30 24 1 14 23
M  V30 25 1 19 23
M  V30 25 1 21 15
M  V30 26 1 21 20
M  V30 26 2 23 24
M  V30 27 2 23 24
M  V30 27 1 24 22
M  V30 28 1 24 22
M  V30 28 1 24 25
M  V30 29 1 14 25
M  V30 29 2 27 25
M  V30 30 1 5 26
M  V30 30 2 28 26
M  V30 31 2 28 26
M  V30 31 1 25 29
M  V30 32 2 29 27
M  V30 32 1 26 27
M  V30 33 1 26 30
M  V30 33 2 29 30
M  V30 34 1 27 28
M  V30 34 1 30 28
M  V30 35 2 30 31
M  V30 35 1 28 31
M  V30 36 1 31 29
M  V30 36 2 33 31
M  V30 37 2 33 25
M  V30 37 2 34 32
M  V30 38 2 34 32
M  V30 38 1 31 35
M  V30 39 1 25 35
M  V30 39 1 32 33
M  V30 40 1 32 33
M  V30 40 2 35 36
M  V30 41 2 35 36
M  V30 41 1 36 34
M  V30 42 1 36 34
M  V30 42 1 18 37
M  V30 43 1 34 37
M  V30 43 2 39 37
M  V30 44 1 29 38
M  V30 44 2 40 38
M  V30 45 2 40 37
M  V30 45 1 37 41
M  V30 46 2 41 39
M  V30 46 1 38 39
M  V30 47 1 37 42
M  V30 47 2 41 42
M  V30 48 1 39 40
M  V30 48 1 42 40
M  V30 49 2 42 43
M  V30 49 1 40 43
M  V30 50 1 43 41
M  V30 50 2 45 43
M  V30 51 2 45 38
M  V30 51 2 46 44
M  V30 52 2 46 44
M  V30 52 1 43 47
M  V30 53 1 38 47
M  V30 53 1 44 45
M  V30 54 1 44 45
M  V30 54 2 47 48
M  V30 55 2 47 48
M  V30 55 1 48 46
M  V30 56 1 48 46
M  V30 56 1 16 6
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
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
|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
|inchikey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
Line 134: Line 132:
|float=none
|float=none
|logP=
|logP=
|abbrev=
|parent=
|parent=
}}
}}

Latest revision as of 14:11, 18 October 2024

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]]

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


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