N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C58H61N — CID 168739394

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168739394) has the molecular formula C58H61N and a molecular weight of 772.13 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 168739394
• Molecular Formula: C58H61N
• Molecular Weight: 772.13 g/mol
• Exact Mass: 771.48
• IUPAC Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)ccc2-c2c(-c3ccc(C4CCCCC4)cc3)cccc21
• InChI: InChI=1S/C58H61N/c1-58(2)54-22-13-21-49(43-28-26-41(27-29-43)40-14-5-3-6-15-40)57(54)52-35-34-47(38-55(52)58)59(46-32-30-44(31-33-46)53-37-39-24-25-45(53)36-39)56-23-12-11-20-51(56)50-19-10-9-18-48(50)42-16-7-4-8-17-42/h9-13,18-23,26-35,38-40,42,45,53H,3-8,14-17,24-25,36-37H2,1-2H3
• InChIKey: NRSLRGIRKNLDQY-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.13
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 168739394) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)ccc2-c2c(-c3ccc(C4CCCCC4)cc3)cccc21.

What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is NRSLRGIRKNLDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H61N/c1-58(2)54-22-13-21-49(43-28-26-41(27-29-43)40-14-5-3-6-15-40)57(54)52-35-34-47(38-55(52)58)59(46-32-30-44(31-33-46)53-37-39-24-25-45(53)36-39)56-23-12-11-20-51(56)50-19-10-9-18-48(50)42-16-7-4-8-17-42/h9-13,18-23,26-35,38-40,42,45,53H,3-8,14-17,24-25,36-37H2,1-2H3.

What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 772.13 g/mol, XLogP of 16.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168739394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).