7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine

C52H47N — CID 165060417

About 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine

7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 165060417) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
• PubChem CID: 165060417
• Molecular Formula: C52H47N
• Molecular Weight: 685.96 g/mol
• Exact Mass: 685.37
• IUPAC Name: 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C5CCCCC5)ccc3-4)c3ccccc3-c3cccc4ccccc34)cc21
• InChI: InChI=1S/C52H47N/c1-51(2)46-23-12-10-20-41(46)43-29-26-37(32-48(43)51)53(50-24-13-11-21-45(50)40-22-14-18-35-17-8-9-19-39(35)40)38-27-30-44-42-28-25-36(34-15-6-5-7-16-34)31-47(42)52(3,4)49(44)33-38/h8-14,17-34H,5-7,15-16H2,1-4H3
• InChIKey: OLYRZUYGIIPSFO-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.96
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?

The IUPAC name of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine (CID 165060417) is 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?

The canonical SMILES for 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C5CCCCC5)ccc3-4)c3ccccc3-c3cccc4ccccc34)cc21.

What is the InChIKey of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?

The InChIKey is OLYRZUYGIIPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N/c1-51(2)46-23-12-10-20-41(46)43-29-26-37(32-48(43)51)53(50-24-13-11-21-45(50)40-22-14-18-35-17-8-9-19-39(35)40)38-27-30-44-42-28-25-36(34-15-6-5-7-16-34)31-47(42)52(3,4)49(44)33-38/h8-14,17-34H,5-7,15-16H2,1-4H3.

What are the key properties of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?

7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 685.96 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 165060417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).