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

C66H42N2O — CID 153314743

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine (PubChem CID 153314743) has the molecular formula C66H42N2O and a molecular weight of 879.07 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
• PubChem CID: 153314743
• Molecular Formula: C66H42N2O
• Molecular Weight: 879.07 g/mol
• Exact Mass: 878.33
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
• SMILES: c1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1
• InChI: InChI=1S/C66H42N2O/c1-2-16-50(45-33-39-60-59-24-10-14-28-65(59)69-66(60)41-45)49(15-1)43-29-34-46(35-30-43)67(48-38-40-56-54-20-4-3-18-52(54)53-19-5-6-21-55(53)61(56)42-48)47-36-31-44(32-37-47)51-17-7-11-25-62(51)68-63-26-12-8-22-57(63)58-23-9-13-27-64(58)68/h1-42H
• InChIKey: DPEBMQCYWLSBIM-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.07
LogP ≤ 5	18.61
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-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine?

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine (CID 153314743) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine.

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

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine is c1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1.

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

The InChIKey is DPEBMQCYWLSBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-2-16-50(45-33-39-60-59-24-10-14-28-65(59)69-66(60)41-45)49(15-1)43-29-34-46(35-30-43)67(48-38-40-56-54-20-4-3-18-52(54)53-19-5-6-21-55(53)61(56)42-48)47-36-31-44(32-37-47)51-17-7-11-25-62(51)68-63-26-12-8-22-57(63)58-23-9-13-27-64(58)68/h1-42H.

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine has a molecular weight of 879.07 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 153314743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).