11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one

C33H22N2O — CID 163585676

IUPAC11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c(-c3ccccc3)c3ccccc3c2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H22N2O/c36-33-29-17-9-10-18-30(29)35-31(25-13-5-2-6-14-25)27-15-7-8-16-28(27)32(35)34(33)26-21-19-24(20-22-26)23-11-3-1-4-12-23/h1-22H
InChIKeyYWSQMWDEXTUMQJ-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.73
Rot. Bonds3

About 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one

11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one (PubChem CID 163585676) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one.

Molecular Properties

Compound Name11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one
PubChem CID163585676
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Name11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c(-c3ccccc3)c3ccccc3c2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H22N2O/c36-33-29-17-9-10-18-30(29)35-31(25-13-5-2-6-14-25)27-15-7-8-16-28(27)32(35)34(33)26-21-19-24(20-22-26)23-11-3-1-4-12-23/h1-22H
InChIKeyYWSQMWDEXTUMQJ-UHFFFAOYSA-N
XLogP7.73
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-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

16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one
CID 146638509
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one
CID 163734590
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42600700
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
CID 155152472

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one?
The IUPAC name of 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one (CID 163585676) is 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one.
What is the SMILES notation for 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one?
The canonical SMILES for 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one is O=c1c2ccccc2n2c(-c3ccccc3)c3ccccc3c2n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one?
The InChIKey is YWSQMWDEXTUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c36-33-29-17-9-10-18-30(29)35-31(25-13-5-2-6-14-25)27-15-7-8-16-28(27)32(35)34(33)26-21-19-24(20-22-26)23-11-3-1-4-12-23/h1-22H.
What are the key properties of 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one?
11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one has a molecular weight of 462.55 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one is sourced from PubChem (CID 163585676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).