3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one

C40H25N5O — CID 121247442

About 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one

3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one (PubChem CID 121247442) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one
• PubChem CID: 121247442
• Molecular Formula: C40H25N5O
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.21
• IUPAC Name: 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one
• SMILES: O=c1c2ccccc2nc(-c2cccc(-c3cc(-c4ccccc4)c4cccnc4n3)c2)n1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C40H25N5O/c46-40-32-18-4-7-20-34(32)43-39(45(40)44-36-21-8-5-16-29(36)30-17-6-9-22-37(30)44)28-15-10-14-27(24-28)35-25-33(26-12-2-1-3-13-26)31-19-11-23-41-38(31)42-35/h1-25H
• InChIKey: ZVDYHKFLCFGNMI-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one?

The IUPAC name of 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one (CID 121247442) is 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one.

What is the SMILES notation for 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one?

The canonical SMILES for 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2cccc(-c3cc(-c4ccccc4)c4cccnc4n3)c2)n1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one?

The InChIKey is ZVDYHKFLCFGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c46-40-32-18-4-7-20-34(32)43-39(45(40)44-36-21-8-5-16-29(36)30-17-6-9-22-37(30)44)28-15-10-14-27(24-28)35-25-33(26-12-2-1-3-13-26)31-19-11-23-41-38(31)42-35/h1-25H.

What are the key properties of 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one?

3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one has a molecular weight of 591.67 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-2-[3-(4-phenyl-1,8-naphthyridin-2-yl)phenyl]quinazolin-4-one is sourced from PubChem (CID 121247442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).