N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine

C66H73N — CID 155467178

About N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155467178) has the molecular formula C66H73N and a molecular weight of 880.32 g/mol. Its IUPAC name is N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 155467178
• Molecular Formula: C66H73N
• Molecular Weight: 880.32 g/mol
• Exact Mass: 879.57
• IUPAC Name: N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: Cc1ccc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)cc1-c1ccc(N(c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
• InChI: InChI=1S/C66H73N/c1-44-24-25-49(52-37-50(45-18-12-10-13-19-45)36-51(38-52)46-20-14-11-15-21-46)41-61(44)48-28-32-57(33-29-48)67(58-34-35-60-59-22-16-17-23-62(59)66(8,9)63(60)43-58)56-30-26-47(27-31-56)53-39-54(64(2,3)4)42-55(40-53)65(5,6)7/h16-17,22-43,45-46H,10-15,18-21H2,1-9H3
• InChIKey: SWTVZDNOKHNNJS-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.32
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 155467178) is N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine is Cc1ccc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)cc1-c1ccc(N(c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.

What is the InChIKey of N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is SWTVZDNOKHNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H73N/c1-44-24-25-49(52-37-50(45-18-12-10-13-19-45)36-51(38-52)46-20-14-11-15-21-46)41-61(44)48-28-32-57(33-29-48)67(58-34-35-60-59-22-16-17-23-62(59)66(8,9)63(60)43-58)56-30-26-47(27-31-56)53-39-54(64(2,3)4)42-55(40-53)65(5,6)7/h16-17,22-43,45-46H,10-15,18-21H2,1-9H3.

What are the key properties of N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?

N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 880.32 g/mol, XLogP of 19.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155467178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).