5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C50H31N3 — CID 139362120

About 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 139362120) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 139362120
• Molecular Formula: C50H31N3
• Molecular Weight: 673.82 g/mol
• Exact Mass: 673.25
• IUPAC Name: 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1
• InChI: InChI=1S/C50H31N3/c1-2-13-33(14-3-1)49-43-25-24-38(37-23-22-32-12-4-5-15-34(32)28-37)30-45(43)51-50(52-49)42-26-27-47(40-19-9-8-18-39(40)42)53-46-21-11-10-20-41(46)44-29-35-16-6-7-17-36(35)31-48(44)53/h1-31H
• InChIKey: BCDNDMMOSHFOPA-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.82
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 139362120) is 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1.

What is the InChIKey of 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is BCDNDMMOSHFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-2-13-33(14-3-1)49-43-25-24-38(37-23-22-32-12-4-5-15-34(32)28-37)30-45(43)51-50(52-49)42-26-27-47(40-19-9-8-18-39(40)42)53-46-21-11-10-20-41(46)44-29-35-16-6-7-17-36(35)31-48(44)53/h1-31H.

What are the key properties of 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 673.82 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 139362120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).