9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine

C63H45N — CID 177274581

About 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 177274581) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 177274581
• Molecular Formula: C63H45N
• Molecular Weight: 816.06 g/mol
• Exact Mass: 815.36
• IUPAC Name: 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc(-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C63H45N/c1-63(2)58-28-14-12-26-54(58)55-38-37-49(41-59(55)63)64(60-29-15-13-23-51(60)48-36-33-43-19-6-7-20-46(43)39-48)61-30-16-27-56(62(61)45-34-31-44(32-35-45)42-17-4-3-5-18-42)57-40-47-21-8-9-22-50(47)52-24-10-11-25-53(52)57/h3-41H,1-2H3
• InChIKey: DBINPZHIIXRYID-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-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 177274581) is 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc(-c4ccccc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine?

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

What are the key properties of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]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-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 177274581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).