9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine

C57H41N — CID 177274844

About 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine (PubChem CID 177274844) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
• PubChem CID: 177274844
• Molecular Formula: C57H41N
• Molecular Weight: 739.96 g/mol
• Exact Mass: 739.32
• IUPAC Name: 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)cc21
• InChI: InChI=1S/C57H41N/c1-57(2)52-28-14-12-26-48(52)49-34-33-43(37-53(49)57)58(54-29-15-13-23-45(54)42-32-31-38-17-6-7-20-40(38)35-42)55-30-16-27-50(56(55)39-18-4-3-5-19-39)51-36-41-21-8-9-22-44(41)46-24-10-11-25-47(46)51/h3-37H,1-2H3
• InChIKey: XYDKGRGZISZMRO-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.96
LogP ≤ 5	15.92
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-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine (CID 177274844) is 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine?

The InChIKey is XYDKGRGZISZMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-57(2)52-28-14-12-26-48(52)49-34-33-43(37-53(49)57)58(54-29-15-13-23-45(54)42-32-31-38-17-6-7-20-40(38)35-42)55-30-16-27-50(56(55)39-18-4-3-5-19-39)51-36-41-21-8-9-22-44(41)46-24-10-11-25-47(46)51/h3-37H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine has a molecular weight of 739.96 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177274844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).