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

C47H29N5 — CID 169297005

IUPAC2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1-c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C47H29N5/c48-30-37-22-13-25-38(33-18-11-20-35(28-33)46-49-41-26-9-7-23-39(41)44(51-46)31-14-3-1-4-15-31)43(37)34-19-12-21-36(29-34)47-50-42-27-10-8-24-40(42)45(52-47)32-16-5-2-6-17-32/h1-29H
InChIKeyNEEDZJBLFHQEEX-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.45
Rot. Bonds6

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

2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile (PubChem CID 169297005) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
PubChem CID169297005
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1-c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C47H29N5/c48-30-37-22-13-25-38(33-18-11-20-35(28-33)46-49-41-26-9-7-23-39(41)44(51-46)31-14-3-1-4-15-31)43(37)34-19-12-21-36(29-34)47-50-42-27-10-8-24-40(42)45(52-47)32-16-5-2-6-17-32/h1-29H
InChIKeyNEEDZJBLFHQEEX-UHFFFAOYSA-N
XLogP11.45
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-bis[3-(4-phenylquinazolin-2-yl)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

3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 170214886
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170215168
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314774
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]benzonitrile
CID 169297045
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
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
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)quinazoline
CID 89279802

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile?
The IUPAC name of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile (CID 169297005) is 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1-c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile?
The InChIKey is NEEDZJBLFHQEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c48-30-37-22-13-25-38(33-18-11-20-35(28-33)46-49-41-26-9-7-23-39(41)44(51-46)31-14-3-1-4-15-31)43(37)34-19-12-21-36(29-34)47-50-42-27-10-8-24-40(42)45(52-47)32-16-5-2-6-17-32/h1-29H.
What are the key properties of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile?
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile has a molecular weight of 663.78 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 169297005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).