1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one

C32H24N2O — CID 11719397

IUPAC1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(c2ccccc2)C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1
InChIInChI=1S/C32H24N2O/c35-32-29-18-10-11-19-30(29)33(27-14-6-2-7-15-27)31(34(32)28-16-8-3-9-17-28)26-22-20-25(21-23-26)24-12-4-1-5-13-24/h1-23,31H
InChIKeyOCLUGFPGJCDSJM-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.85
Rot. Bonds4

About 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one

1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one (PubChem CID 11719397) has the molecular formula C32H24N2O and a molecular weight of 452.56 g/mol. Its IUPAC name is 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one.

Molecular Properties

Compound Name1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one
PubChem CID11719397
Molecular FormulaC32H24N2O
Molecular Weight452.56 g/mol
Exact Mass452.19
IUPAC Name1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(c2ccccc2)C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1
InChIInChI=1S/C32H24N2O/c35-32-29-18-10-11-19-30(29)33(27-14-6-2-7-15-27)31(34(32)28-16-8-3-9-17-28)26-22-20-25(21-23-26)24-12-4-1-5-13-24/h1-23,31H
InChIKeyOCLUGFPGJCDSJM-UHFFFAOYSA-N
XLogP7.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one?
The IUPAC name of 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one (CID 11719397) is 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one.
What is the SMILES notation for 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one?
The canonical SMILES for 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one is O=C1c2ccccc2N(c2ccccc2)C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one?
The InChIKey is OCLUGFPGJCDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O/c35-32-29-18-10-11-19-30(29)33(27-14-6-2-7-15-27)31(34(32)28-16-8-3-9-17-28)26-22-20-25(21-23-26)24-12-4-1-5-13-24/h1-23,31H.
What are the key properties of 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one?
1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one has a molecular weight of 452.56 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one is sourced from PubChem (CID 11719397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).