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

C56H39N — CID 172527859

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

2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline (PubChem CID 172527859) has the molecular formula C56H39N and a molecular weight of 737.00 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline
• PubChem CID: 172527859
• Molecular Formula: C56H39N
• Molecular Weight: 737.00 g/mol
• Exact Mass: 736.38
• IUPAC Name: 2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline
• SMILES: [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2-c2ccccc2)c1[2H]
• InChI: InChI=1S/C56H39N/c1-4-16-40(17-5-1)46-33-37-55(54(39-46)42-18-6-2-7-19-42)57(49-26-14-25-47(38-49)51-29-15-24-41-20-10-12-27-50(41)51)48-34-30-44(31-35-48)53-36-32-43-21-11-13-28-52(43)56(53)45-22-8-3-9-23-45/h1-39H/i14D,25D,26D,30D,31D,33D,34D,35D,37D,38D,39D
• InChIKey: NMJNVMWCHPKKMQ-GLLVTYKBSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.00
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline (CID 172527859) is 2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline.

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

The canonical SMILES for 2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline is [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2-c2ccccc2)c1[2H].

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

The InChIKey is NMJNVMWCHPKKMQ-GLLVTYKBSA-N. The full InChI is InChI=1S/C56H39N/c1-4-16-40(17-5-1)46-33-37-55(54(39-46)42-18-6-2-7-19-42)57(49-26-14-25-47(38-49)51-29-15-24-41-20-10-12-27-50(41)51)48-34-30-44(31-35-48)53-36-32-43-21-11-13-28-52(43)56(53)45-22-8-3-9-23-45/h1-39H/i14D,25D,26D,30D,31D,33D,34D,35D,37D,38D,39D.

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

2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline has a molecular weight of 737.00 g/mol, XLogP of 15.80, 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-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5-trideuterio-4,6-diphenylphenyl)aniline is sourced from PubChem (CID 172527859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).