N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine

C48H30N2O — CID 167277077

About N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine

N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 167277077) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 167277077
• Molecular Formula: C48H30N2O
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.24
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
• SMILES: c1ccc2c(c1)cc(N(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1cccc3oc4c5ccccc5ccc4c13)c1ccccc12
• InChI: InChI=1S/C48H30N2O/c1-4-15-36-31(12-1)24-29-41-47-44(22-11-23-46(47)51-48(36)41)50(45-30-32-13-2-3-14-35(32)37-16-5-6-17-38(37)45)34-27-25-33(26-28-34)49-42-20-9-7-18-39(42)40-19-8-10-21-43(40)49/h1-30H
• InChIKey: QZOVRIXWRDEBEZ-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.78
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine (CID 167277077) is N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine is c1ccc2c(c1)cc(N(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1cccc3oc4c5ccccc5ccc4c13)c1ccccc12.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is QZOVRIXWRDEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-4-15-36-31(12-1)24-29-41-47-44(22-11-23-46(47)51-48(36)41)50(45-30-32-13-2-3-14-35(32)37-16-5-6-17-38(37)45)34-27-25-33(26-28-34)49-42-20-9-7-18-39(42)40-19-8-10-21-43(40)49/h1-30H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine?

N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 650.78 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 167277077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).