1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole

C39H26N2 — CID 58106321

IUPAC1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
SMILESc1ccc2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C39H26N2/c1-3-13-33-27(9-1)11-7-15-35(33)29-19-21-31(22-20-29)39-40-37-17-5-6-18-38(37)41(39)32-25-23-30(24-26-32)36-16-8-12-28-10-2-4-14-34(28)36/h1-26H
InChIKeyKBZNYFUNFVQZAH-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.33
Rot. Bonds4

About 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole

1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole (PubChem CID 58106321) has the molecular formula C39H26N2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
PubChem CID58106321
Molecular FormulaC39H26N2
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
SMILESc1ccc2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C39H26N2/c1-3-13-33-27(9-1)11-7-15-35(33)29-19-21-31(22-20-29)39-40-37-17-5-6-18-38(37)41(39)32-25-23-30(24-26-32)36-16-8-12-28-10-2-4-14-34(28)36/h1-26H
InChIKeyKBZNYFUNFVQZAH-UHFFFAOYSA-N
XLogP10.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
CID 135245229
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
1-[4-[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]phenyl]-2-phenylbenzimidazole
CID 167411018
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole
CID 169071852
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610
1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828917

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole?
The IUPAC name of 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole (CID 58106321) is 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole.
What is the SMILES notation for 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole?
The canonical SMILES for 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole is c1ccc2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1.
What is the InChIKey of 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole?
The InChIKey is KBZNYFUNFVQZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2/c1-3-13-33-27(9-1)11-7-15-35(33)29-19-21-31(22-20-29)39-40-37-17-5-6-18-38(37)41(39)32-25-23-30(24-26-32)36-16-8-12-28-10-2-4-14-34(28)36/h1-26H.
What are the key properties of 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole?
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole has a molecular weight of 522.65 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole is sourced from PubChem (CID 58106321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).