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

C51H37N — CID 134464839

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

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine (PubChem CID 134464839) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
• PubChem CID: 134464839
• Molecular Formula: C51H37N
• Molecular Weight: 663.86 g/mol
• Exact Mass: 663.29
• IUPAC Name: 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21
• InChI: InChI=1S/C51H37N/c1-51(2)49-18-10-9-17-46(49)47-30-29-42(33-50(47)51)52(40-25-21-35(22-26-40)38-20-19-34-11-3-4-12-37(34)31-38)41-27-23-36(24-28-41)48-32-39-13-5-6-14-43(39)44-15-7-8-16-45(44)48/h3-33H,1-2H3
• InChIKey: UHCDANYZDRJECL-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.86
LogP ≤ 5	14.26
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-ylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine (CID 134464839) is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine.

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

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

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

The InChIKey is UHCDANYZDRJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)49-18-10-9-17-46(49)47-30-29-42(33-50(47)51)52(40-25-21-35(22-26-40)38-20-19-34-11-3-4-12-37(34)31-38)41-27-23-36(24-28-41)48-32-39-13-5-6-14-43(39)44-15-7-8-16-45(44)48/h3-33H,1-2H3.

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

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine has a molecular weight of 663.86 g/mol, XLogP of 14.26, 5 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-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 134464839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).