5,8-bis(4-phenylphenyl)benzo[c]phenanthrene

C42H28 — CID 58526355

IUPAC5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
SMILESc1ccc(-c2ccc(-c3cc4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H28/c1-3-11-29(12-4-1)31-19-23-33(24-20-31)40-27-35-28-41(34-25-21-32(22-26-34)30-13-5-2-6-14-30)37-16-8-10-18-39(37)42(35)38-17-9-7-15-36(38)40/h1-28H
InChIKeyWCMYBPDXLWTFEK-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

About 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene

5,8-bis(4-phenylphenyl)benzo[c]phenanthrene (PubChem CID 58526355) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
PubChem CID58526355
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
SMILESc1ccc(-c2ccc(-c3cc4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H28/c1-3-11-29(12-4-1)31-19-23-33(24-20-31)40-27-35-28-41(34-25-21-32(22-26-34)30-13-5-2-6-14-30)37-16-8-10-18-39(37)42(35)38-17-9-7-15-36(38)40/h1-28H
InChIKeyWCMYBPDXLWTFEK-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.81
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

N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene
CID 59282131
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137393008
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 137393003
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline
CID 59282390
9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 159768381
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
CID 59282192

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene?
The IUPAC name of 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene (CID 58526355) is 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene.
What is the SMILES notation for 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene?
The canonical SMILES for 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene is c1ccc(-c2ccc(-c3cc4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene?
The InChIKey is WCMYBPDXLWTFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-11-29(12-4-1)31-19-23-33(24-20-31)40-27-35-28-41(34-25-21-32(22-26-34)30-13-5-2-6-14-30)37-16-8-10-18-39(37)42(35)38-17-9-7-15-36(38)40/h1-28H.
What are the key properties of 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene?
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene has a molecular weight of 532.69 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(4-phenylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 58526355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).