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

C61H67N — CID 160693671

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

N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 160693671) 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-(3-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-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 160693671
• 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-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2cccc(-c3cccc(N(c4cccc(C(C)(C)C)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C61H67N/c1-57(2,3)46-23-19-25-51(38-46)62(52-28-29-54-53-26-15-16-27-55(53)61(13,14)56(54)39-52)50-24-18-22-42(36-50)40-20-17-21-41(30-40)43-31-44(33-47(32-43)58(4,5)6)45-34-48(59(7,8)9)37-49(35-45)60(10,11)12/h15-39H,1-14H3
• InChIKey: OUFFAJOCNRKUOB-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-(3-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-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (CID 160693671) is N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-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-(3-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-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cccc(-c3cccc(N(c4cccc(C(C)(C)C)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)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-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?

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

N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-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-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 160693671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).