N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C63H69N — CID 160561456

About N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 160561456) has the molecular formula C63H69N and a molecular weight of 840.25 g/mol. Its IUPAC name is N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 160561456
• Molecular Formula: C63H69N
• Molecular Weight: 840.25 g/mol
• Exact Mass: 839.54
• IUPAC Name: N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(N(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
• InChI: InChI=1S/C63H69N/c1-60(2,3)50-35-48(36-51(39-50)61(4,5)6)46-25-27-47(28-26-46)49-37-52(62(7,8)9)40-55(38-49)64(54-33-34-57-56-19-15-16-20-58(56)63(10,11)59(57)41-54)53-31-29-45(30-32-53)44-23-21-43(22-24-44)42-17-13-12-14-18-42/h15-16,19-42H,12-14,17-18H2,1-11H3
• InChIKey: YWYCLWAIDUOXHH-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.25
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 160561456) is N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

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

The canonical SMILES for N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(N(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.

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

The InChIKey is YWYCLWAIDUOXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H69N/c1-60(2,3)50-35-48(36-51(39-50)61(4,5)6)46-25-27-47(28-26-46)49-37-52(62(7,8)9)40-55(38-49)64(54-33-34-57-56-19-15-16-20-58(56)63(10,11)59(57)41-54)53-31-29-45(30-32-53)44-23-21-43(22-24-44)42-17-13-12-14-18-42/h15-16,19-42H,12-14,17-18H2,1-11H3.

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

N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 840.25 g/mol, XLogP of 18.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 160561456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).