3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one

C38H27N3O — CID 121247469

IUPAC3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one
SMILESO=c1c2c(nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n1-c1ccccc1)=CCCC=2
InChIInChI=1S/C38H27N3O/c42-38-32-16-7-9-17-34(32)39-37(41(38)30-13-5-2-6-14-30)27-21-19-26(20-22-27)28-23-24-36-33(25-28)31-15-8-10-18-35(31)40(36)29-11-3-1-4-12-29/h1-6,8,10-25H,7,9H2
InChIKeyVGWIRXTWHIZVQE-UHFFFAOYSA-N
MW541.65 g/mol
LogP7.02
Rot. Bonds4

About 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one

3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one (PubChem CID 121247469) has the molecular formula C38H27N3O and a molecular weight of 541.65 g/mol. Its IUPAC name is 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one
PubChem CID121247469
Molecular FormulaC38H27N3O
Molecular Weight541.65 g/mol
Exact Mass541.22
IUPAC Name3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one
SMILESO=c1c2c(nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n1-c1ccccc1)=CCCC=2
InChIInChI=1S/C38H27N3O/c42-38-32-16-7-9-17-34(32)39-37(41(38)30-13-5-2-6-14-30)27-21-19-26(20-22-27)28-23-24-36-33(25-28)31-15-8-10-18-35(31)40(36)29-11-3-1-4-12-29/h1-6,8,10-25H,7,9H2
InChIKeyVGWIRXTWHIZVQE-UHFFFAOYSA-N
XLogP7.02
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one?
The IUPAC name of 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one (CID 121247469) is 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one?
The canonical SMILES for 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one is O=c1c2c(nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n1-c1ccccc1)=CCCC=2.
What is the InChIKey of 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one?
The InChIKey is VGWIRXTWHIZVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O/c42-38-32-16-7-9-17-34(32)39-37(41(38)30-13-5-2-6-14-30)27-21-19-26(20-22-27)28-23-24-36-33(25-28)31-15-8-10-18-35(31)40(36)29-11-3-1-4-12-29/h1-6,8,10-25H,7,9H2.
What are the key properties of 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one?
3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one has a molecular weight of 541.65 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one is sourced from PubChem (CID 121247469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).