1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene

C136H98 — CID 157199364

IUPAC1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene
SMILESc1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(ccc4ccccc43)c2-c2ccccc2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/2C26H18.3C22H16.C18H14/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20;1-3-9-19(10-4-1)23-17-18-24-22-14-8-7-11-20(22)15-16-25(24)26(23)21-12-5-2-6-13-21;2*1-3-9-17(10-4-1)21-16-15-18-11-7-8-14-20(18)22(21)19-12-5-2-6-13-19;1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-22(21)18-11-5-2-6-12-18;1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h2*1-18H;3*1-16H;1-14H
InChIKeyAQPUJELOTXHYOB-UHFFFAOYSA-N
MW1732.28 g/mol
LogP38.20
Rot. Bonds12

About 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene

1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene (PubChem CID 157199364) has the molecular formula C136H98 and a molecular weight of 1732.28 g/mol. Its IUPAC name is 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene.

Molecular Properties

Compound Name1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene
PubChem CID157199364
Molecular FormulaC136H98
Molecular Weight1732.28 g/mol
Exact Mass1730.77
IUPAC Name1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene
SMILESc1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(ccc4ccccc43)c2-c2ccccc2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/2C26H18.3C22H16.C18H14/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20;1-3-9-19(10-4-1)23-17-18-24-22-14-8-7-11-20(22)15-16-25(24)26(23)21-12-5-2-6-13-21;2*1-3-9-17(10-4-1)21-16-15-18-11-7-8-14-20(18)22(21)19-12-5-2-6-13-19;1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-22(21)18-11-5-2-6-12-18;1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h2*1-18H;3*1-16H;1-14H
InChIKeyAQPUJELOTXHYOB-UHFFFAOYSA-N
XLogP38.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.28
LogP ≤ 538.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylnaphthalene
CID 11208267
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
CID 91535853
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene?
The IUPAC name of 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene (CID 157199364) is 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene.
What is the SMILES notation for 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene?
The canonical SMILES for 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene is c1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(ccc4ccccc43)c2-c2ccccc2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene?
The InChIKey is AQPUJELOTXHYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H18.3C22H16.C18H14/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20;1-3-9-19(10-4-1)23-17-18-24-22-14-8-7-11-20(22)15-16-25(24)26(23)21-12-5-2-6-13-21;2*1-3-9-17(10-4-1)21-16-15-18-11-7-8-14-20(18)22(21)19-12-5-2-6-13-19;1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-22(21)18-11-5-2-6-12-18;1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h2*1-18H;3*1-16H;1-14H.
What are the key properties of 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene?
1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene has a molecular weight of 1732.28 g/mol, XLogP of 38.20, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene is sourced from PubChem (CID 157199364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).