4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

C40H25N3 — CID 142488060

IUPAC4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C40H25N3/c41-26-27-18-20-28(21-19-27)34-22-29-10-4-5-11-30(29)23-35(34)36-24-31-12-6-7-13-32(31)25-37(36)40-42-38-16-8-9-17-39(38)43(40)33-14-2-1-3-15-33/h1-25H
InChIKeyQMQPWGPJHVBJMW-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.20
Rot. Bonds4

About 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (PubChem CID 142488060) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
PubChem CID142488060
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C40H25N3/c41-26-27-18-20-28(21-19-27)34-22-29-10-4-5-11-30(29)23-35(34)36-24-31-12-6-7-13-32(31)25-37(36)40-42-38-16-8-9-17-39(38)43(40)33-14-2-1-3-15-33/h1-25H
InChIKeyQMQPWGPJHVBJMW-UHFFFAOYSA-N
XLogP10.20
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488066
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
4-[7-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488094
1-phenyl-2-[3-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]benzimidazole
CID 142488113
4-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 155157496
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
CID 175047355
1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole
CID 141395462
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
CID 88544794

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (CID 142488060) is 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The InChIKey is QMQPWGPJHVBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c41-26-27-18-20-28(21-19-27)34-22-29-10-4-5-11-30(29)23-35(34)36-24-31-12-6-7-13-32(31)25-37(36)40-42-38-16-8-9-17-39(38)43(40)33-14-2-1-3-15-33/h1-25H.
What are the key properties of 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile has a molecular weight of 547.66 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 142488060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).