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

C58H36N10O2 — CID 163709957

IUPAC3-(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
SMILESO=c1c2ccccc2nc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1-c1cccc(-c2cccc3c(=O)n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)nc23)c1
InChIInChI=1S/C58H36N10O2/c69-56-45-32-16-17-35-47(45)59-55(53-63-49(37-20-6-1-7-21-37)61-50(64-53)38-22-8-2-9-23-38)67(56)43-31-18-30-42(36-43)44-33-19-34-46-48(44)60-54(41-28-14-5-15-29-41)68(57(46)70)58-65-51(39-24-10-3-11-25-39)62-52(66-58)40-26-12-4-13-27-40/h1-36H
InChIKeyKIIOJSAKMSPEBR-UHFFFAOYSA-N
MW904.99 g/mol
LogP11.12
Rot. Bonds9

About 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

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 (PubChem CID 163709957) has the molecular formula C58H36N10O2 and a molecular weight of 904.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID163709957
Molecular FormulaC58H36N10O2
Molecular Weight904.99 g/mol
Exact Mass904.30
IUPAC Name3-(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
SMILESO=c1c2ccccc2nc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1-c1cccc(-c2cccc3c(=O)n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)nc23)c1
InChIInChI=1S/C58H36N10O2/c69-56-45-32-16-17-35-47(45)59-55(53-63-49(37-20-6-1-7-21-37)61-50(64-53)38-22-8-2-9-23-38)67(56)43-31-18-30-42(36-43)44-33-19-34-46-48(44)60-54(41-28-14-5-15-29-41)68(57(46)70)58-65-51(39-24-10-3-11-25-39)62-52(66-58)40-26-12-4-13-27-40/h1-36H
InChIKeyKIIOJSAKMSPEBR-UHFFFAOYSA-N
XLogP11.12
TPSA147.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.99
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
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
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylisoquinolin-1-one
CID 155699328
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2ccccc2nc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1-c1cccc(-c2cccc3c(=O)n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)nc23)c1.
What is the InChIKey of 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?
The InChIKey is KIIOJSAKMSPEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N10O2/c69-56-45-32-16-17-35-47(45)59-55(53-63-49(37-20-6-1-7-21-37)61-50(64-53)38-22-8-2-9-23-38)67(56)43-31-18-30-42(36-43)44-33-19-34-46-48(44)60-54(41-28-14-5-15-29-41)68(57(46)70)58-65-51(39-24-10-3-11-25-39)62-52(66-58)40-26-12-4-13-27-40/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 904.99 g/mol, XLogP of 11.12, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163709957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).