2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

C54H34N6 — CID 174314774

IUPAC2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc5ccccc45)cc3-c3ccccc3)n2)c1
InChIInChI=1S/C54H34N6/c55-35-42-23-10-11-26-43(42)39-24-16-25-41(33-39)53-58-52(38-21-8-3-9-22-38)59-54(60-53)46-32-31-40(34-48(46)36-17-4-1-5-18-36)44-27-12-13-28-45(44)50-47-29-14-15-30-49(47)56-51(57-50)37-19-6-2-7-20-37/h1-34H
InChIKeyNNWFIHQABXYUFL-UHFFFAOYSA-N
MW766.91 g/mol
LogP13.02
Rot. Bonds8

About 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 174314774) has the molecular formula C54H34N6 and a molecular weight of 766.91 g/mol. Its IUPAC name is 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID174314774
Molecular FormulaC54H34N6
Molecular Weight766.91 g/mol
Exact Mass766.28
IUPAC Name2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc5ccccc45)cc3-c3ccccc3)n2)c1
InChIInChI=1S/C54H34N6/c55-35-42-23-10-11-26-43(42)39-24-16-25-41(33-39)53-58-52(38-21-8-3-9-22-38)59-54(60-53)46-32-31-40(34-48(46)36-17-4-1-5-18-36)44-27-12-13-28-45(44)50-47-29-14-15-30-49(47)56-51(57-50)37-19-6-2-7-20-37/h1-34H
InChIKeyNNWFIHQABXYUFL-UHFFFAOYSA-N
XLogP13.02
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.91
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170215168
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
2-[3-[4-[2-[3-[2-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174308909
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 176848103
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
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-[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-[2-[4-cyano-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170299696
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 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) is 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc5ccccc45)cc3-c3ccccc3)n2)c1.
What is the InChIKey of 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is NNWFIHQABXYUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6/c55-35-42-23-10-11-26-43(42)39-24-16-25-41(33-39)53-58-52(38-21-8-3-9-22-38)59-54(60-53)46-32-31-40(34-48(46)36-17-4-1-5-18-36)44-27-12-13-28-45(44)50-47-29-14-15-30-49(47)56-51(57-50)37-19-6-2-7-20-37/h1-34H.
What are the key properties of 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 766.91 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 174314774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).