4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile

C34H21N3 — CID 164745442

IUPAC4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)c4c3nc3ccc5ccccc5n34)cc2)cc1
InChIInChI=1S/C34H21N3/c35-22-23-10-12-24(13-11-23)25-14-16-27(17-15-25)29-19-20-30(26-6-2-1-3-7-26)34-33(29)36-32-21-18-28-8-4-5-9-31(28)37(32)34/h1-21H
InChIKeyCOBUGKWCZJULIN-UHFFFAOYSA-N
MW471.56 g/mol
LogP8.51
Rot. Bonds3

About 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile

4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile (PubChem CID 164745442) has the molecular formula C34H21N3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile
PubChem CID164745442
Molecular FormulaC34H21N3
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)c4c3nc3ccc5ccccc5n34)cc2)cc1
InChIInChI=1S/C34H21N3/c35-22-23-10-12-24(13-11-23)25-14-16-27(17-15-25)29-19-20-30(26-6-2-1-3-7-26)34-33(29)36-32-21-18-28-8-4-5-9-31(28)37(32)34/h1-21H
InChIKeyCOBUGKWCZJULIN-UHFFFAOYSA-N
XLogP8.51
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[4-[6-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]benzonitrile
CID 176632587
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
4-[6-[4-(2,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297433
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
CID 175190264
4-[2-(4-cyanophenyl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 170032601
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297341
4-[6-[4-(2-naphthalen-2-yl-5-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297272

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile (CID 164745442) is 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)c4c3nc3ccc5ccccc5n34)cc2)cc1.
What is the InChIKey of 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile?
The InChIKey is COBUGKWCZJULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3/c35-22-23-10-12-24(13-11-23)25-14-16-27(17-15-25)29-19-20-30(26-6-2-1-3-7-26)34-33(29)36-32-21-18-28-8-4-5-9-31(28)37(32)34/h1-21H.
What are the key properties of 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile?
4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile has a molecular weight of 471.56 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11-phenylbenzimidazolo[1,2-a]quinolin-8-yl)phenyl]benzonitrile is sourced from PubChem (CID 164745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).