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

C53H33N5 — CID 170215168

IUPAC2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)c(-c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)c1
InChIInChI=1S/C53H33N5/c54-34-42-19-7-8-24-43(42)39-29-30-44(37-20-13-22-40(31-37)50-45-25-9-11-27-48(45)55-52(57-50)35-15-3-1-4-16-35)47(33-39)38-21-14-23-41(32-38)51-46-26-10-12-28-49(46)56-53(58-51)36-17-5-2-6-18-36/h1-33H
InChIKeyIEDOKFPKIDFDAQ-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.11
Rot. Bonds7

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

2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile (PubChem CID 170215168) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
PubChem CID170215168
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)c(-c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)c1
InChIInChI=1S/C53H33N5/c54-34-42-19-7-8-24-43(42)39-29-30-44(37-20-13-22-40(31-37)50-45-25-9-11-27-48(45)55-52(57-50)35-15-3-1-4-16-35)47(33-39)38-21-14-23-41(32-38)51-46-26-10-12-28-49(46)56-53(58-51)36-17-5-2-6-18-36/h1-33H
InChIKeyIEDOKFPKIDFDAQ-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

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Related Compounds

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
3-[2,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170214848
3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]benzonitrile
CID 169297045
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
CID 169297005
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170215378
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 176848103
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176646140
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-[3-[4-[4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314829
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile (CID 170215168) is 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)c(-c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)c1.
What is the InChIKey of 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile?
The InChIKey is IEDOKFPKIDFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c54-34-42-19-7-8-24-43(42)39-29-30-44(37-20-13-22-40(31-37)50-45-25-9-11-27-48(45)55-52(57-50)35-15-3-1-4-16-35)47(33-39)38-21-14-23-41(32-38)51-46-26-10-12-28-49(46)56-53(58-51)36-17-5-2-6-18-36/h1-33H.
What are the key properties of 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile?
2-[3,4-bis[3-(2-phenylquinazolin-4-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 2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 170215168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).