2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline

C60H38N2O — CID 167330267

About 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline

2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 167330267) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
• PubChem CID: 167330267
• Molecular Formula: C60H38N2O
• Molecular Weight: 802.98 g/mol
• Exact Mass: 802.30
• IUPAC Name: 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c1
• InChI: InChI=1S/C60H38N2O/c1-3-14-47-40(12-1)24-25-44-38-43(31-36-48(44)47)39-26-32-45(33-27-39)61(56-21-9-10-22-57(56)62-54-19-7-5-16-51(54)52-17-6-8-20-55(52)62)46-34-28-42(29-35-46)49-18-11-23-58-59(49)53-37-30-41-13-2-4-15-50(41)60(53)63-58/h1-38H
• InChIKey: WPEVGRWGLMOXIY-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.98
LogP ≤ 5	16.95
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 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline?

The IUPAC name of 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline (CID 167330267) is 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline.

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

The canonical SMILES for 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline is c1ccc(-n2c3ccccc3c3ccccc32)c(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c1.

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

The InChIKey is WPEVGRWGLMOXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-3-14-47-40(12-1)24-25-44-38-43(31-36-48(44)47)39-26-32-45(33-27-39)61(56-21-9-10-22-57(56)62-54-19-7-5-16-51(54)52-17-6-8-20-55(52)62)46-34-28-42(29-35-46)49-18-11-23-58-59(49)53-37-30-41-13-2-4-15-50(41)60(53)63-58/h1-38H.

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

2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline has a molecular weight of 802.98 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 167330267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).