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

C65H44N2O — CID 176608126

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

4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 176608126) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
• PubChem CID: 176608126
• Molecular Formula: C65H44N2O
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.35
• IUPAC Name: 4-(2-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(-c5ccccc5-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c3)cc21
• InChI: InChI=1S/C65H44N2O/c1-65(2)57-29-12-7-23-48(57)49-35-34-42(37-58(49)65)41-19-17-20-44(36-41)66(62-38-43-18-3-4-21-46(43)47-22-5-6-24-50(47)62)45-39-55(64-56(40-45)54-28-11-16-33-63(54)68-64)53-27-10-15-32-61(53)67-59-30-13-8-25-51(59)52-26-9-14-31-60(52)67/h3-40H,1-2H3
• InChIKey: ZMIIDTGIAHEETB-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-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine?

The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine (CID 176608126) is 4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine.

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

The canonical SMILES for 4-(2-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(-c5ccccc5-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c3)cc21.

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

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

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

4-(2-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-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine is sourced from PubChem (CID 176608126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).