N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline

C66H44N2 — CID 167234152

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline (PubChem CID 167234152) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
• PubChem CID: 167234152
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
• SMILES: c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C66H44N2/c1-2-17-46(18-3-1)57-42-37-50(62-43-49-20-5-7-23-55(49)58-25-8-9-26-59(58)62)44-66(57)67(51-38-33-47(34-39-51)54-29-16-21-45-19-4-6-22-53(45)54)52-40-35-48(36-41-52)56-24-10-13-30-63(56)68-64-31-14-11-27-60(64)61-28-12-15-32-65(61)68/h1-44H
• InChIKey: GUPLNBQSZLRCEQ-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline (CID 167234152) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline.

What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?

The InChIKey is GUPLNBQSZLRCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-2-17-46(18-3-1)57-42-37-50(62-43-49-20-5-7-23-55(49)58-25-8-9-26-59(58)62)44-66(57)67(51-38-33-47(34-39-51)54-29-16-21-45-19-4-6-22-53(45)54)52-40-35-48(36-41-52)56-24-10-13-30-63(56)68-64-31-14-11-27-60(64)61-28-12-15-32-65(61)68/h1-44H.

What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline has a molecular weight of 865.09 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline is sourced from PubChem (CID 167234152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).