2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline

C58H41N — CID 171452655

About 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline

2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 171452655) has the molecular formula C58H41N and a molecular weight of 764.05 g/mol. Its IUPAC name is 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
• PubChem CID: 171452655
• Molecular Formula: C58H41N
• Molecular Weight: 764.05 g/mol
• Exact Mass: 763.40
• IUPAC Name: 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c([2H])c2[2H])c(-c2ccccc2)c1[2H]
• InChI: InChI=1S/C58H41N/c1-4-16-44(17-5-1)55-39-34-49(41-57(55)47-20-8-3-9-21-47)43-32-37-52(38-33-43)59(58-29-13-12-27-56(58)46-18-6-2-7-19-46)51-35-30-42(31-36-51)48-24-14-25-50(40-48)54-28-15-23-45-22-10-11-26-53(45)54/h1-41H/i12D,13D,27D,29D,30D,31D,32D,33D,35D,36D,37D,38D
• InChIKey: AEFJUZWEXKCSKB-LNHPVEHLSA-N
• XLogP: 16.31
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.05
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline?

The IUPAC name of 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline (CID 171452655) is 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline.

What is the SMILES notation for 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline?

The canonical SMILES for 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline is [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c([2H])c2[2H])c(-c2ccccc2)c1[2H].

What is the InChIKey of 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline?

The InChIKey is AEFJUZWEXKCSKB-LNHPVEHLSA-N. The full InChI is InChI=1S/C58H41N/c1-4-16-44(17-5-1)55-39-34-49(41-57(55)47-20-8-3-9-21-47)43-32-37-52(38-33-43)59(58-29-13-12-27-56(58)46-18-6-2-7-19-46)51-35-30-42(31-36-51)48-24-14-25-50(40-48)54-28-15-23-45-22-10-11-26-53(45)54/h1-41H/i12D,13D,27D,29D,30D,31D,32D,33D,35D,36D,37D,38D.

What are the key properties of 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline?

2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 764.05 g/mol, XLogP of 16.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 171452655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).