N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine

C58H55N — CID 168739032

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine (PubChem CID 168739032) has the molecular formula C58H55N and a molecular weight of 766.09 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine
• PubChem CID: 168739032
• Molecular Formula: C58H55N
• Molecular Weight: 766.09 g/mol
• Exact Mass: 765.43
• IUPAC Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3)cc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21
• InChI: InChI=1S/C58H55N/c1-58(2)55-36-45(40-14-6-3-7-15-40)28-33-52(55)57-54(42-18-10-5-11-19-42)37-49(38-56(57)58)59(48-31-26-44(27-32-48)53-35-39-22-23-46(53)34-39)47-29-24-43(25-30-47)51-21-13-12-20-50(51)41-16-8-4-9-17-41/h3,5-7,10-15,18-21,24-33,36-39,41,46,53H,4,8-9,16-17,22-23,34-35H2,1-2H3
• InChIKey: WRIOSSOZLYOJQD-UHFFFAOYSA-N
• XLogP: 16.42
• 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	766.09
LogP ≤ 5	16.42
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]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine?

The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine (CID 168739032) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3)cc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21.

What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine?

The InChIKey is WRIOSSOZLYOJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N/c1-58(2)55-36-45(40-14-6-3-7-15-40)28-33-52(55)57-54(42-18-10-5-11-19-42)37-49(38-56(57)58)59(48-31-26-44(27-32-48)53-35-39-22-23-46(53)34-39)47-29-24-43(25-30-47)51-21-13-12-20-50(51)41-16-8-4-9-17-41/h3,5-7,10-15,18-21,24-33,36-39,41,46,53H,4,8-9,16-17,22-23,34-35H2,1-2H3.

What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine?

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine has a molecular weight of 766.09 g/mol, XLogP of 16.42, 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]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine is sourced from PubChem (CID 168739032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).