2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one

C44H28N2O — CID 121247322

IUPAC2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one
SMILESO=c1c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)ccc2nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C44H28N2O/c47-44-41-28-31(24-26-42(41)45-43(29-13-3-1-4-14-29)46(44)32-15-5-2-6-16-32)30-23-25-39-37-21-10-9-19-35(37)33-17-7-8-18-34(33)36-20-11-12-22-38(36)40(39)27-30/h1-28H/b35-33-,36-34-,39-37-,40-38-
InChIKeyQNMKFTIQCVEGPU-VRPJMXLBSA-N
MW600.72 g/mol
LogP10.70
Rot. Bonds3

About 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one

2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one (PubChem CID 121247322) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one
PubChem CID121247322
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one
SMILESO=c1c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)ccc2nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C44H28N2O/c47-44-41-28-31(24-26-42(41)45-43(29-13-3-1-4-14-29)46(44)32-15-5-2-6-16-32)30-23-25-39-37-21-10-9-19-35(37)33-17-7-8-18-34(33)36-20-11-12-22-38(36)40(39)27-30/h1-28H/b35-33-,36-34-,39-37-,40-38-
InChIKeyQNMKFTIQCVEGPU-VRPJMXLBSA-N
XLogP10.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-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

2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
1,2-diphenyl-5-(26-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)benzimidazole
CID 134571968
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-[3,5-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
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one?
The IUPAC name of 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one (CID 121247322) is 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one.
What is the SMILES notation for 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one?
The canonical SMILES for 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one is O=c1c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)ccc2nc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one?
The InChIKey is QNMKFTIQCVEGPU-VRPJMXLBSA-N. The full InChI is InChI=1S/C44H28N2O/c47-44-41-28-31(24-26-42(41)45-43(29-13-3-1-4-14-29)46(44)32-15-5-2-6-16-32)30-23-25-39-37-21-10-9-19-35(37)33-17-7-8-18-34(33)36-20-11-12-22-38(36)40(39)27-30/h1-28H/b35-33-,36-34-,39-37-,40-38-.
What are the key properties of 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one?
2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one has a molecular weight of 600.72 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one is sourced from PubChem (CID 121247322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).