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

C61H67N — CID 158277620

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

N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 158277620) has the molecular formula C61H67N and a molecular weight of 814.21 g/mol. Its IUPAC name is N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 158277620
• Molecular Formula: C61H67N
• Molecular Weight: 814.21 g/mol
• Exact Mass: 813.53
• IUPAC Name: N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1ccc(-c2cccc(N(c3ccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
• InChI: InChI=1S/C61H67N/c1-57(2,3)46-26-22-40(23-27-46)42-18-17-19-51(37-42)62(52-30-31-54-53-20-15-16-21-55(53)61(13,14)56(54)39-52)50-28-24-41(25-29-50)43-32-44(34-47(33-43)58(4,5)6)45-35-48(59(7,8)9)38-49(36-45)60(10,11)12/h15-39H,1-14H3
• InChIKey: RLHVZWDOGSNHOA-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-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 158277620) is N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

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

The canonical SMILES for N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc(-c2cccc(N(c3ccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1.

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

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

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

N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-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-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 158277620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).