N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine

C53H37N — CID 171451126

About N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine

N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine (PubChem CID 171451126) has the molecular formula C53H37N and a molecular weight of 696.94 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine
• PubChem CID: 171451126
• Molecular Formula: C53H37N
• Molecular Weight: 696.94 g/mol
• Exact Mass: 696.35
• IUPAC Name: N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C53H37N/c1-4-17-38(18-5-1)39-33-35-44(36-34-39)54(45-26-14-21-41(37-45)47-29-15-20-40-19-10-11-27-46(40)47)51-32-16-31-50-52(51)48-28-12-13-30-49(48)53(50,42-22-6-2-7-23-42)43-24-8-3-9-25-43/h1-37H/i1D,4D,5D,17D,18D,33D,34D,35D,36D
• InChIKey: YJTIKURESKVJBK-RWNFGQDASA-N
• XLogP: 14.01
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.94
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine?

The IUPAC name of N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine (CID 171451126) is N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine.

What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine?

The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine?

The InChIKey is YJTIKURESKVJBK-RWNFGQDASA-N. The full InChI is InChI=1S/C53H37N/c1-4-17-38(18-5-1)39-33-35-44(36-34-39)54(45-26-14-21-41(37-45)47-29-15-20-40-19-10-11-27-46(40)47)51-32-16-31-50-52(51)48-28-12-13-30-49(48)53(50,42-22-6-2-7-23-42)43-24-8-3-9-25-43/h1-37H/i1D,4D,5D,17D,18D,33D,34D,35D,36D.

What are the key properties of N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine?

N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine has a molecular weight of 696.94 g/mol, XLogP of 14.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 171451126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).