9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine

C63H45N — CID 170065730

About 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine (PubChem CID 170065730) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine
• PubChem CID: 170065730
• Molecular Formula: C63H45N
• Molecular Weight: 816.06 g/mol
• Exact Mass: 815.36
• IUPAC Name: 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccccc4)c(-c4cc5ccccc5c5ccccc45)cc3-c3ccccc3)cc21
• InChI: InChI=1S/C63H45N/c1-63(2)60-28-16-15-27-54(60)55-36-35-50(39-61(55)63)64(49-33-31-43(32-34-49)47-30-29-42-17-9-10-22-46(42)37-47)62-41-56(44-18-5-3-6-19-44)59(40-57(62)45-20-7-4-8-21-45)58-38-48-23-11-12-24-51(48)52-25-13-14-26-53(52)58/h3-41H,1-2H3
• InChIKey: CWMMTHIPEWXZEW-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.06
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine (CID 170065730) is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccccc4)c(-c4cc5ccccc5c5ccccc45)cc3-c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine?

The InChIKey is CWMMTHIPEWXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-63(2)60-28-16-15-27-54(60)55-36-35-50(39-61(55)63)64(49-33-31-43(32-34-49)47-30-29-42-17-9-10-22-46(42)37-47)62-41-56(44-18-5-3-6-19-44)59(40-57(62)45-20-7-4-8-21-45)58-38-48-23-11-12-24-51(48)52-25-13-14-26-53(52)58/h3-41H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine has a molecular weight of 816.06 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170065730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).