9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine

C51H39N — CID 137483501

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine (PubChem CID 137483501) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine
• PubChem CID: 137483501
• Molecular Formula: C51H39N
• Molecular Weight: 665.88 g/mol
• Exact Mass: 665.31
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine
• SMILES: CC1(C)C2=CCCC=C2c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21
• InChI: InChI=1S/C51H39N/c1-51(2)49-19-11-10-18-46(49)47-31-29-40(33-50(47)51)52(38-25-20-35(21-26-38)34-12-4-3-5-13-34)39-27-22-36(23-28-39)37-24-30-45-43-16-7-6-14-41(43)42-15-8-9-17-44(42)48(45)32-37/h3-9,12-33H,10-11H2,1-2H3
• InChIKey: MCJVPGKABIUQQM-UHFFFAOYSA-N
• XLogP: 14.34
• 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	665.88
LogP ≤ 5	14.34
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-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine (CID 137483501) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine is CC1(C)C2=CCCC=C2c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine?

The InChIKey is MCJVPGKABIUQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N/c1-51(2)49-19-11-10-18-46(49)47-31-29-40(33-50(47)51)52(38-25-20-35(21-26-38)34-12-4-3-5-13-34)39-27-22-36(23-28-39)37-24-30-45-43-16-7-6-14-41(43)42-15-8-9-17-44(42)48(45)32-37/h3-9,12-33H,10-11H2,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine?

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine has a molecular weight of 665.88 g/mol, XLogP of 14.34, 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-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine is sourced from PubChem (CID 137483501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).