N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

C60H38N2O — CID 90321281

About N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 90321281) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
• PubChem CID: 90321281
• Molecular Formula: C60H38N2O
• Molecular Weight: 802.98 g/mol
• Exact Mass: 802.30
• IUPAC Name: N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C60H38N2O/c1-2-12-39(13-3-1)40-22-27-43(28-23-40)61(45-31-33-51-49-16-5-4-14-47(49)48-15-6-7-17-50(48)54(51)37-45)44-29-24-41(25-30-44)42-26-34-58-55(36-42)52-18-8-10-20-57(52)62(58)46-32-35-60-56(38-46)53-19-9-11-21-59(53)63-60/h1-38H
• InChIKey: WWHNCLXFLQLPBQ-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 N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?

The IUPAC name of N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (CID 90321281) is N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

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

The canonical SMILES for N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

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

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

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

N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine 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 N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 90321281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).