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

C61H67N — CID 160831639

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

N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 160831639) has the molecular formula C61H67N and a molecular weight of 814.21 g/mol. Its IUPAC name is N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 160831639
• Molecular Formula: C61H67N
• Molecular Weight: 814.21 g/mol
• Exact Mass: 813.53
• IUPAC Name: N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2cccc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4C(C)(C)C)c3)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C61H67N/c1-57(2,3)46-33-43(32-44(34-46)45-35-47(58(4,5)6)38-48(36-45)59(7,8)9)41-22-19-21-40(31-41)42-23-20-24-49(37-42)62(56-28-18-17-27-54(56)60(10,11)12)50-29-30-52-51-25-15-16-26-53(51)61(13,14)55(52)39-50/h15-39H,1-14H3
• InChIKey: QFVOZJJRHZJBPL-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.21
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (CID 160831639) is N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.

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

The canonical SMILES for N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cccc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4C(C)(C)C)c3)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.

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

The InChIKey is QFVOZJJRHZJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H67N/c1-57(2,3)46-33-43(32-44(34-46)45-35-47(58(4,5)6)38-48(36-45)59(7,8)9)41-22-19-21-40(31-41)42-23-20-24-49(37-42)62(56-28-18-17-27-54(56)60(10,11)12)50-29-30-52-51-25-15-16-26-53(51)61(13,14)55(52)39-50/h15-39H,1-14H3.

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

N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 814.21 g/mol, XLogP of 17.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 160831639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).