2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C62H39N3 — CID 146540820

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

2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146540820) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146540820
• Molecular Formula: C62H39N3
• Molecular Weight: 826.02 g/mol
• Exact Mass: 825.31
• IUPAC Name: 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc(-c7ccc8ccccc8c7)cc6c6cc7ccccc7cc65)c5ccccc45)nc4cc(-c5ccccc5)ccc34)cc2)cc1
• InChI: InChI=1S/C62H39N3/c1-3-13-40(14-4-1)43-23-26-44(27-24-43)61-54-31-29-50(41-15-5-2-6-16-41)38-57(54)63-62(64-61)53-32-34-58(52-22-12-11-21-51(52)53)65-59-33-30-49(48-28-25-42-17-7-8-18-45(42)35-48)37-55(59)56-36-46-19-9-10-20-47(46)39-60(56)65/h1-39H
• InChIKey: JIJXHPBHKNOUNH-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.02
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146540820) is 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc(-c7ccc8ccccc8c7)cc6c6cc7ccccc7cc65)c5ccccc45)nc4cc(-c5ccccc5)ccc34)cc2)cc1.

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

The InChIKey is JIJXHPBHKNOUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-3-13-40(14-4-1)43-23-26-44(27-24-43)61-54-31-29-50(41-15-5-2-6-16-41)38-57(54)63-62(64-61)53-32-34-58(52-22-12-11-21-51(52)53)65-59-33-30-49(48-28-25-42-17-7-8-18-45(42)35-48)37-55(59)56-36-46-19-9-10-20-47(46)39-60(56)65/h1-39H.

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

2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 826.02 g/mol, XLogP of 16.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146540820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).