N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine

C61H61N — CID 170293751

About N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine

N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 170293751) has the molecular formula C61H61N and a molecular weight of 808.17 g/mol. Its IUPAC name is N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

• Compound Name: N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine
• PubChem CID: 170293751
• Molecular Formula: C61H61N
• Molecular Weight: 808.17 g/mol
• Exact Mass: 807.48
• IUPAC Name: N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C61H61N/c1-58(2,3)43-34-35-46(40-22-13-12-14-23-40)55(39-43)62(54-33-21-31-52-57(54)50-27-15-17-30-51(50)61(52,10)11)53-32-18-16-26-48(53)49-29-20-25-41-24-19-28-47(56(41)49)42-36-44(59(4,5)6)38-45(37-42)60(7,8)9/h12-39H,1-11H3
• InChIKey: YEYUUXLXGRILBM-UHFFFAOYSA-N
• XLogP: 17.51
• 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	808.17
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine?

The IUPAC name of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine (CID 170293751) is N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine.

What is the SMILES notation for N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine?

The canonical SMILES for N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine?

The InChIKey is YEYUUXLXGRILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H61N/c1-58(2,3)43-34-35-46(40-22-13-12-14-23-40)55(39-43)62(54-33-21-31-52-57(54)50-27-15-17-30-51(50)61(52,10)11)53-32-18-16-26-48(53)49-29-20-25-41-24-19-28-47(56(41)49)42-36-44(59(4,5)6)38-45(37-42)60(7,8)9/h12-39H,1-11H3.

What are the key properties of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine?

N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 808.17 g/mol, XLogP of 17.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 170293751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).