4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine

C65H44N2O — CID 176608138

About 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine

4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 176608138) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
• PubChem CID: 176608138
• Molecular Formula: C65H44N2O
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.35
• IUPAC Name: 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c3)cc21
• InChI: InChI=1S/C65H44N2O/c1-65(2)58-26-11-7-21-50(58)51-35-32-43(37-59(51)65)42-17-15-18-46(36-42)66(62-38-44-16-3-4-19-48(44)49-20-5-6-22-52(49)62)47-39-56(64-57(40-47)55-25-10-14-29-63(55)68-64)41-30-33-45(34-31-41)67-60-27-12-8-23-53(60)54-24-9-13-28-61(54)67/h3-40H,1-2H3
• InChIKey: OCVDSNQBWKPJQB-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.08
LogP ≤ 5	18.10
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 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine?

The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine (CID 176608138) is 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine.

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

The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c3)cc21.

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

The InChIKey is OCVDSNQBWKPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O/c1-65(2)58-26-11-7-21-50(58)51-35-32-43(37-59(51)65)42-17-15-18-46(36-42)66(62-38-44-16-3-4-19-48(44)49-20-5-6-22-52(49)62)47-39-56(64-57(40-47)55-25-10-14-29-63(55)68-64)41-30-33-45(34-31-41)67-60-27-12-8-23-53(60)54-24-9-13-28-61(54)67/h3-40H,1-2H3.

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

4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine has a molecular weight of 869.08 g/mol, XLogP of 18.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine is sourced from PubChem (CID 176608138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).