9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine

C57H49N — CID 167260563

About 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine

9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine (PubChem CID 167260563) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine
• PubChem CID: 167260563
• Molecular Formula: C57H49N
• Molecular Weight: 748.03 g/mol
• Exact Mass: 747.39
• IUPAC Name: 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)ccc21
• InChI: InChI=1S/C57H49N/c1-55(2)37-38-56(3,4)52-39-43(31-36-51(52)55)42-29-34-47(35-30-42)58(46-32-27-41(28-33-46)40-17-8-5-9-18-40)53-26-16-24-49-48-23-14-15-25-50(48)57(54(49)53,44-19-10-6-11-20-44)45-21-12-7-13-22-45/h5-36,39H,37-38H2,1-4H3
• InChIKey: PGQHHHCFIQDVBN-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.03
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine?

The IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine (CID 167260563) is 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine.

What is the SMILES notation for 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine?

The canonical SMILES for 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine is CC1(C)CCC(C)(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)ccc21.

What is the InChIKey of 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine?

The InChIKey is PGQHHHCFIQDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-55(2)37-38-56(3,4)52-39-43(31-36-51(52)55)42-29-34-47(35-30-42)58(46-32-27-41(28-33-46)40-17-8-5-9-18-40)53-26-16-24-49-48-23-14-15-25-50(48)57(54(49)53,44-19-10-6-11-20-44)45-21-12-7-13-22-45/h5-36,39H,37-38H2,1-4H3.

What are the key properties of 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine?

9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine has a molecular weight of 748.03 g/mol, XLogP of 15.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 167260563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).