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

C35H23N5O — CID 121247655

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C35H23N5O/c41-35-29-21-10-11-22-30(29)36-34(26-17-8-3-9-18-26)40(35)28-20-12-19-27(23-28)33-38-31(24-13-4-1-5-14-24)37-32(39-33)25-15-6-2-7-16-25/h1-23H
InChIKeyZULXXSIEPAYQED-UHFFFAOYSA-N
MW529.60 g/mol
LogP7.24
Rot. Bonds5

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

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one (PubChem CID 121247655) has the molecular formula C35H23N5O and a molecular weight of 529.60 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
PubChem CID121247655
Molecular FormulaC35H23N5O
Molecular Weight529.60 g/mol
Exact Mass529.19
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C35H23N5O/c41-35-29-21-10-11-22-30(29)36-34(26-17-8-3-9-18-26)40(35)28-20-12-19-27(23-28)33-38-31(24-13-4-1-5-14-24)37-32(39-33)25-15-6-2-7-16-25/h1-23H
InChIKeyZULXXSIEPAYQED-UHFFFAOYSA-N
XLogP7.24
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one 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-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxoquinazolin-3-yl]phenyl]-2-phenylquinazolin-4-one
CID 163709957
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one
CID 159155859
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylisoquinolin-1-one
CID 155699328
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one (CID 121247655) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one?
The InChIKey is ZULXXSIEPAYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5O/c41-35-29-21-10-11-22-30(29)36-34(26-17-8-3-9-18-26)40(35)28-20-12-19-27(23-28)33-38-31(24-13-4-1-5-14-24)37-32(39-33)25-15-6-2-7-16-25/h1-23H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one has a molecular weight of 529.60 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 121247655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).