N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine

C67H71N — CID 155467065

About N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155467065) has the molecular formula C67H71N and a molecular weight of 890.31 g/mol. Its IUPAC name is N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 155467065
• Molecular Formula: C67H71N
• Molecular Weight: 890.31 g/mol
• Exact Mass: 889.56
• IUPAC Name: N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(C5CCCCC5)c4)cc3)c3ccc(-c4ccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)c5c4CCCC5)cc3)cc21
• InChI: InChI=1S/C67H71N/c1-67(2)65-28-15-14-27-63(65)64-38-37-58(45-66(64)67)68(56-33-29-49(30-34-56)52-24-16-23-51(41-52)46-17-6-3-7-18-46)57-35-31-50(32-36-57)59-39-40-60(62-26-13-12-25-61(59)62)55-43-53(47-19-8-4-9-20-47)42-54(44-55)48-21-10-5-11-22-48/h14-16,23-24,27-48H,3-13,17-22,25-26H2,1-2H3
• InChIKey: HKINQYGOPMSGBC-UHFFFAOYSA-N
• XLogP: 19.49
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.31
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine (CID 155467065) is N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(C5CCCCC5)c4)cc3)c3ccc(-c4ccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)c5c4CCCC5)cc3)cc21.

What is the InChIKey of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is HKINQYGOPMSGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71N/c1-67(2)65-28-15-14-27-63(65)64-38-37-58(45-66(64)67)68(56-33-29-49(30-34-56)52-24-16-23-51(41-52)46-17-6-3-7-18-46)57-35-31-50(32-36-57)59-39-40-60(62-26-13-12-25-61(59)62)55-43-53(47-19-8-4-9-20-47)42-54(44-55)48-21-10-5-11-22-48/h14-16,23-24,27-48H,3-13,17-22,25-26H2,1-2H3.

What are the key properties of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine?

N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 890.31 g/mol, XLogP of 19.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155467065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).