N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

C43H43N — CID 170538778

About N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170538778) has the molecular formula C43H43N and a molecular weight of 573.82 g/mol. Its IUPAC name is N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
• PubChem CID: 170538778
• Molecular Formula: C43H43N
• Molecular Weight: 573.82 g/mol
• Exact Mass: 573.34
• IUPAC Name: N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccccc3C3CCCCC3)cc21
• InChI: InChI=1S/C43H43N/c1-43(2)40-21-10-8-19-38(40)39-28-27-34(29-41(39)43)44(42-22-11-9-18-37(42)31-13-4-3-5-14-31)33-25-23-32(24-26-33)36-20-12-16-30-15-6-7-17-35(30)36/h8-12,16,18-29,31H,3-7,13-15,17H2,1-2H3
• InChIKey: VJMJLMLNBTZFMR-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.82
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170538778) is N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccccc3C3CCCCC3)cc21.

What is the InChIKey of N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The InChIKey is VJMJLMLNBTZFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N/c1-43(2)40-21-10-8-19-38(40)39-28-27-34(29-41(39)43)44(42-22-11-9-18-37(42)31-13-4-3-5-14-31)33-25-23-32(24-26-33)36-20-12-16-30-15-6-7-17-35(30)36/h8-12,16,18-29,31H,3-7,13-15,17H2,1-2H3.

What are the key properties of N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 573.82 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).