4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

C40H25N3 — CID 142488066

IUPAC4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3cc2-c2ccc3cc(-n4c(-c5ccccc5)nc5ccccc54)ccc3c2)cc1
InChIInChI=1S/C40H25N3/c41-26-27-14-16-28(17-15-27)36-24-30-10-4-5-11-31(30)25-37(36)34-19-18-33-23-35(21-20-32(33)22-34)43-39-13-7-6-12-38(39)42-40(43)29-8-2-1-3-9-29/h1-25H
InChIKeyXEDPCASSMOVKMA-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.20
Rot. Bonds4

About 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (PubChem CID 142488066) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
PubChem CID142488066
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3cc2-c2ccc3cc(-n4c(-c5ccccc5)nc5ccccc54)ccc3c2)cc1
InChIInChI=1S/C40H25N3/c41-26-27-14-16-28(17-15-27)36-24-30-10-4-5-11-31(30)25-37(36)34-19-18-33-23-35(21-20-32(33)22-34)43-39-13-7-6-12-38(39)42-40(43)29-8-2-1-3-9-29/h1-25H
InChIKeyXEDPCASSMOVKMA-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-[7-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488094
4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488060
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile
CID 142488055
4-[7-(2-phenylbenzimidazol-1-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 155157095
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole-5-carbonitrile;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-diphenylbenzimidazole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-diphenylbenzo[e]benzimidazole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole
CID 161257784
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzonitrile
CID 170027502
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole
CID 90362549

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (CID 142488066) is 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2cc3ccccc3cc2-c2ccc3cc(-n4c(-c5ccccc5)nc5ccccc54)ccc3c2)cc1.
What is the InChIKey of 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The InChIKey is XEDPCASSMOVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c41-26-27-14-16-28(17-15-27)36-24-30-10-4-5-11-31(30)25-37(36)34-19-18-33-23-35(21-20-32(33)22-34)43-39-13-7-6-12-38(39)42-40(43)29-8-2-1-3-9-29/h1-25H.
What are the key properties of 4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
4-[3-[6-(2-phenylbenzimidazol-1-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-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 142488066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).