4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile

C37H22N4 — CID 154940310

IUPAC4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4cc(-c5nc6ccccc6c6nc7ccccc7n56)ccc4c3)cc2)cc1
InChIInChI=1S/C37H22N4/c38-23-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-18-30-22-31(20-19-29(30)21-28)36-39-33-6-2-1-5-32(33)37-40-34-7-3-4-8-35(34)41(36)37/h1-22H
InChIKeyGTTMGOFMKIHFIV-UHFFFAOYSA-N
MW522.61 g/mol
LogP9.06
Rot. Bonds3

About 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile

4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile (PubChem CID 154940310) has the molecular formula C37H22N4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile
PubChem CID154940310
Molecular FormulaC37H22N4
Molecular Weight522.61 g/mol
Exact Mass522.18
IUPAC Name4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4cc(-c5nc6ccccc6c6nc7ccccc7n56)ccc4c3)cc2)cc1
InChIInChI=1S/C37H22N4/c38-23-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-18-30-22-31(20-19-29(30)21-28)36-39-33-6-2-1-5-32(33)37-40-34-7-3-4-8-35(34)41(36)37/h1-22H
InChIKeyGTTMGOFMKIHFIV-UHFFFAOYSA-N
XLogP9.06
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[6-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-4-yl)naphthalen-2-yl]naphthalene-2-carbonitrile
CID 154940508
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
4-[7-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488094
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene-11-carbonitrile
CID 88553256
7-(9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaen-5-yl)phenanthrene-2-carbonitrile
CID 129128035
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
6-[3-[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]-2-naphthalen-2-ylbenzimidazolo[1,2-c]quinazoline;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-6-naphthalen-2-ylbenzimidazolo[1,2-c]quinazoline;2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-c]quinazoline;6-naphthalen-2-yl-2-(10-naphthalen-2-ylanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;2-naphthalen-2-yl-6-[3-[3-(2-naphthalen-2-ylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]benzimidazolo[1,2-c]quinazoline;6-[3-naphthalen-2-yl-5-(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline
CID 159359183

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile (CID 154940310) is 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4cc(-c5nc6ccccc6c6nc7ccccc7n56)ccc4c3)cc2)cc1.
What is the InChIKey of 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile?
The InChIKey is GTTMGOFMKIHFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4/c38-23-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-18-30-22-31(20-19-29(30)21-28)36-39-33-6-2-1-5-32(33)37-40-34-7-3-4-8-35(34)41(36)37/h1-22H.
What are the key properties of 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile?
4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile has a molecular weight of 522.61 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 154940310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).