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

C52H37N — CID 171452622

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

2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (PubChem CID 171452622) has the molecular formula C52H37N and a molecular weight of 683.92 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
• PubChem CID: 171452622
• Molecular Formula: C52H37N
• Molecular Weight: 683.92 g/mol
• Exact Mass: 683.34
• IUPAC Name: 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
• SMILES: [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C52H37N/c1-4-13-38(14-5-1)42-25-29-50(30-26-42)53(52-22-12-21-45(37-52)46-24-23-41-19-10-11-20-44(41)33-46)51-31-27-43(28-32-51)49-35-47(39-15-6-2-7-16-39)34-48(36-49)40-17-8-3-9-18-40/h1-37H/i12D,21D,22D,25D,26D,29D,30D,37D
• InChIKey: LLDZLMNJBJSVQY-LKYAYLPLSA-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 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?

The IUPAC name of 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (CID 171452622) is 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.

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

The canonical SMILES for 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c1[2H].

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

The InChIKey is LLDZLMNJBJSVQY-LKYAYLPLSA-N. The full InChI is InChI=1S/C52H37N/c1-4-13-38(14-5-1)42-25-29-50(30-26-42)53(52-22-12-21-45(37-52)46-24-23-41-19-10-11-20-44(41)33-46)51-31-27-43(28-32-51)49-35-47(39-15-6-2-7-16-39)34-48(36-49)40-17-8-3-9-18-40/h1-37H/i12D,21D,22D,25D,26D,29D,30D,37D.

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

2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)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 2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is sourced from PubChem (CID 171452622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).