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

C52H37N — CID 172526952

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

2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 172526952) has the molecular formula C52H37N and a molecular weight of 683.92 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 172526952
• Molecular Formula: C52H37N
• Molecular Weight: 683.92 g/mol
• Exact Mass: 683.34
• IUPAC Name: 2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: [2H]c1c([2H])c(N(c2ccccc2-c2ccccc2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C52H37N/c1-4-14-38(15-5-1)39-24-26-40(27-25-39)41-28-33-46(34-29-41)53(51-23-13-12-21-48(51)42-16-6-2-7-17-42)47-35-30-45(31-36-47)52-49-22-11-10-20-44(49)32-37-50(52)43-18-8-3-9-19-43/h1-37H/i28D,29D,30D,31D,33D,34D,35D,36D
• InChIKey: QKXCMUTVDZLSIZ-VDWRIMRFSA-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-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of 2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline (CID 172526952) is 2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline.

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

The canonical SMILES for 2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline is [2H]c1c([2H])c(N(c2ccccc2-c2ccccc2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.

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

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

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

2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)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-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 172526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).