3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile

C53H33N5 — CID 170214886

IUPAC3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1
InChIInChI=1S/C53H33N5/c54-34-35-15-11-20-38(31-35)43-27-14-28-44(39-21-12-23-41(32-39)52-55-47-29-9-7-25-45(47)50(57-52)36-16-3-1-4-17-36)49(43)40-22-13-24-42(33-40)53-56-48-30-10-8-26-46(48)51(58-53)37-18-5-2-6-19-37/h1-33H
InChIKeyZFPFIGFTFSCEJC-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.11
Rot. Bonds7

About 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile

3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile (PubChem CID 170214886) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
PubChem CID170214886
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1
InChIInChI=1S/C53H33N5/c54-34-35-15-11-20-38(31-35)43-27-14-28-44(39-21-12-23-41(32-39)52-55-47-29-9-7-25-45(47)50(57-52)36-16-3-1-4-17-36)49(43)40-22-13-24-42(33-40)53-56-48-30-10-8-26-46(48)51(58-53)37-18-5-2-6-19-37/h1-33H
InChIKeyZFPFIGFTFSCEJC-UHFFFAOYSA-N
XLogP13.11
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
CID 169297005
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
3-[4-[4-phenyl-6-[2-[2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174309042
3-[2,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170214848
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 176848103
3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]benzonitrile
CID 169297045
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643
4-[4-[4-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 155283530

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile (CID 170214886) is 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1.
What is the InChIKey of 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile?
The InChIKey is ZFPFIGFTFSCEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c54-34-35-15-11-20-38(31-35)43-27-14-28-44(39-21-12-23-41(32-39)52-55-47-29-9-7-25-45(47)50(57-52)36-16-3-1-4-17-36)49(43)40-22-13-24-42(33-40)53-56-48-30-10-8-26-46(48)51(58-53)37-18-5-2-6-19-37/h1-33H.
What are the key properties of 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile?
3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile has a molecular weight of 739.88 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 170214886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).