N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine

C62H40N2O — CID 139545139

About N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine

N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine (PubChem CID 139545139) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

• Compound Name: N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine
• PubChem CID: 139545139
• Molecular Formula: C62H40N2O
• Molecular Weight: 829.02 g/mol
• Exact Mass: 828.31
• IUPAC Name: N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine
• SMILES: c1cc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-c2cccc3c2oc2ccccc23)c1
• InChI: InChI=1S/C62H40N2O/c1-2-18-48-42(15-1)31-32-45-40-47(37-38-49(45)48)63(46-35-33-41(34-36-46)43-16-13-17-44(39-43)50-24-14-25-56-55-23-7-12-30-61(55)65-62(50)56)57-26-8-3-19-51(57)52-20-4-9-27-58(52)64-59-28-10-5-21-53(59)54-22-6-11-29-60(54)64/h1-40H
• InChIKey: ACVWNHRRJZVARG-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.02
LogP ≤ 5	17.46
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-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine?

The IUPAC name of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine (CID 139545139) is N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine.

What is the SMILES notation for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine?

The canonical SMILES for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine is c1cc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-c2cccc3c2oc2ccccc23)c1.

What is the InChIKey of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine?

The InChIKey is ACVWNHRRJZVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-18-48-42(15-1)31-32-45-40-47(37-38-49(45)48)63(46-35-33-41(34-36-46)43-16-13-17-44(39-43)50-24-14-25-56-55-23-7-12-30-61(55)65-62(50)56)57-26-8-3-19-51(57)52-20-4-9-27-58(52)64-59-28-10-5-21-53(59)54-22-6-11-29-60(54)64/h1-40H.

What are the key properties of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine?

N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 829.02 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 139545139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).