9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine

C61H57N — CID 171416112

About 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine (PubChem CID 171416112) has the molecular formula C61H57N and a molecular weight of 804.13 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
• PubChem CID: 171416112
• Molecular Formula: C61H57N
• Molecular Weight: 804.13 g/mol
• Exact Mass: 803.45
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
• SMILES: CC(C)C1CCCCC1(c1ccc(C(c2ccccc2)c2ccccc2-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
• InChI: InChI=1S/C61H57N/c1-43(2)56-29-18-19-41-61(56,47-33-31-46(32-34-47)59(45-22-10-6-11-23-45)55-28-15-14-26-52(55)44-20-8-5-9-21-44)48-35-37-50(38-36-48)62(49-24-12-7-13-25-49)51-39-40-54-53-27-16-17-30-57(53)60(3,4)58(54)42-51/h5-17,20-28,30-40,42-43,56,59H,18-19,29,41H2,1-4H3
• InChIKey: XTDCTSHAKHDUTQ-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.13
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine (CID 171416112) is 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine is CC(C)C1CCCCC1(c1ccc(C(c2ccccc2)c2ccccc2-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

The InChIKey is XTDCTSHAKHDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H57N/c1-43(2)56-29-18-19-41-61(56,47-33-31-46(32-34-47)59(45-22-10-6-11-23-45)55-28-15-14-26-52(55)44-20-8-5-9-21-44)48-35-37-50(38-36-48)62(49-24-12-7-13-25-49)51-39-40-54-53-27-16-17-30-57(53)60(3,4)58(54)42-51/h5-17,20-28,30-40,42-43,56,59H,18-19,29,41H2,1-4H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine has a molecular weight of 804.13 g/mol, XLogP of 16.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 171416112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).