2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole

C41H26N2 — CID 88544794

IUPAC2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)nc3ccccc32)cc1
InChIInChI=1S/C41H26N2/c1-2-11-33(12-3-1)43-39-17-9-8-16-38(39)42-41(43)32-23-20-28-24-30(21-19-29(28)25-32)37-26-31-22-18-27-10-4-5-13-34(27)40(31)36-15-7-6-14-35(36)37/h1-26H
InChIKeyQVLGJABGJODLOU-UHFFFAOYSA-N
MW546.67 g/mol
LogP10.97
Rot. Bonds3

About 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole

2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole (PubChem CID 88544794) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
PubChem CID88544794
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)nc3ccccc32)cc1
InChIInChI=1S/C41H26N2/c1-2-11-33(12-3-1)43-39-17-9-8-16-38(39)42-41(43)32-23-20-28-24-30(21-19-29(28)25-32)37-26-31-22-18-27-10-4-5-13-34(27)40(31)36-15-7-6-14-35(36)37/h1-26H
InChIKeyQVLGJABGJODLOU-UHFFFAOYSA-N
XLogP10.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[4-(16-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167411712
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 167411559
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
1-phenyl-2-[3-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]benzimidazole
CID 142488113
2-[4-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 167412753
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole?
The IUPAC name of 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole (CID 88544794) is 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)nc3ccccc32)cc1.
What is the InChIKey of 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole?
The InChIKey is QVLGJABGJODLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-2-11-33(12-3-1)43-39-17-9-8-16-38(39)42-41(43)32-23-20-28-24-30(21-19-29(28)25-32)37-26-31-22-18-27-10-4-5-13-34(27)40(31)36-15-7-6-14-35(36)37/h1-26H.
What are the key properties of 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole?
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole has a molecular weight of 546.67 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole is sourced from PubChem (CID 88544794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).