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

C52H37N — CID 171451055

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

2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline (PubChem CID 171451055) has the molecular formula C52H37N and a molecular weight of 683.92 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 171451055
• Molecular Formula: C52H37N
• Molecular Weight: 683.92 g/mol
• Exact Mass: 683.34
• IUPAC Name: 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
• SMILES: [2H]c1c([2H])c(N(c2ccccc2-c2ccccc2)c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C52H37N/c1-3-14-38(15-4-1)43-20-11-21-44(36-43)39-28-32-47(33-29-39)53(52-27-10-9-25-51(52)42-16-5-2-6-17-42)48-34-30-40(31-35-48)45-22-12-23-46(37-45)50-26-13-19-41-18-7-8-24-49(41)50/h1-37H/i28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: GJVOALISWYSLDJ-TVWZWGCDSA-N
• XLogP: 14.64
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.92
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline (CID 171451055) is 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline is [2H]c1c([2H])c(N(c2ccccc2-c2ccccc2)c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.

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

The InChIKey is GJVOALISWYSLDJ-TVWZWGCDSA-N. The full InChI is InChI=1S/C52H37N/c1-3-14-38(15-4-1)43-20-11-21-44(36-43)39-28-32-47(33-29-39)53(52-27-10-9-25-51(52)42-16-5-2-6-17-42)48-34-30-40(31-35-48)45-22-12-23-46(37-45)50-26-13-19-41-18-7-8-24-49(41)50/h1-37H/i28D,29D,30D,31D,32D,33D,34D,35D.

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

2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 683.92 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 171451055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).