3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile

C41H27N3 — CID 142488055

IUPAC3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile
SMILESCc1ccc(-c2ccc3cc(-c4ccc5ccc(-n6c(-c7cccc(C#N)c7)nc7ccccc76)cc5c4)ccc3c2)cc1
InChIInChI=1S/C41H27N3/c1-27-9-11-29(12-10-27)31-15-16-33-23-34(18-17-32(33)22-31)35-14-13-30-19-20-38(25-37(30)24-35)44-40-8-3-2-7-39(40)43-41(44)36-6-4-5-28(21-36)26-42/h2-25H,1H3
InChIKeyMJQRFFLKVVZBGZ-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.51
Rot. Bonds4

About 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile

3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile (PubChem CID 142488055) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile
PubChem CID142488055
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile
SMILESCc1ccc(-c2ccc3cc(-c4ccc5ccc(-n6c(-c7cccc(C#N)c7)nc7ccccc76)cc5c4)ccc3c2)cc1
InChIInChI=1S/C41H27N3/c1-27-9-11-29(12-10-27)31-15-16-33-23-34(18-17-32(33)22-31)35-14-13-30-19-20-38(25-37(30)24-35)44-40-8-3-2-7-39(40)43-41(44)36-6-4-5-28(21-36)26-42/h2-25H,1H3
InChIKeyMJQRFFLKVVZBGZ-UHFFFAOYSA-N
XLogP10.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.51
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-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488066
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
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
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941

Frequently Asked Questions

What is the IUPAC name of 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile (CID 142488055) is 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile is Cc1ccc(-c2ccc3cc(-c4ccc5ccc(-n6c(-c7cccc(C#N)c7)nc7ccccc76)cc5c4)ccc3c2)cc1.
What is the InChIKey of 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile?
The InChIKey is MJQRFFLKVVZBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-27-9-11-29(12-10-27)31-15-16-33-23-34(18-17-32(33)22-31)35-14-13-30-19-20-38(25-37(30)24-35)44-40-8-3-2-7-39(40)43-41(44)36-6-4-5-28(21-36)26-42/h2-25H,1H3.
What are the key properties of 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile?
3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile has a molecular weight of 561.69 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile is sourced from PubChem (CID 142488055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).