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

C59H71N — CID 160612005

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

N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 160612005) has the molecular formula C59H71N and a molecular weight of 794.22 g/mol. Its IUPAC name is N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 160612005
• Molecular Formula: C59H71N
• Molecular Weight: 794.22 g/mol
• Exact Mass: 793.56
• IUPAC Name: N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2cc(N(c3cccc(C(C)(C)C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C59H71N/c1-54(2,3)42-21-20-22-47(35-42)60(48-25-26-51-50-23-18-19-24-52(50)59(16,17)53(51)37-48)49-33-41(32-46(36-49)58(13,14)15)39-27-38(28-43(29-39)55(4,5)6)40-30-44(56(7,8)9)34-45(31-40)57(10,11)12/h18-37H,1-17H3
• InChIKey: IAWMPCIHURLNRP-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.22
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (CID 160612005) is N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.

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

The canonical SMILES for N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cc(N(c3cccc(C(C)(C)C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.

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

The InChIKey is IAWMPCIHURLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H71N/c1-54(2,3)42-21-20-22-47(35-42)60(48-25-26-51-50-23-18-19-24-52(50)59(16,17)53(51)37-48)49-33-41(32-46(36-49)58(13,14)15)39-27-38(28-43(29-39)55(4,5)6)40-30-44(56(7,8)9)34-45(31-40)57(10,11)12/h18-37H,1-17H3.

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

N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 794.22 g/mol, XLogP of 17.28, 5 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-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 160612005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).