2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline

C60H41N — CID 172526811

About 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline

2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 172526811) has the molecular formula C60H41N and a molecular weight of 795.11 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
• PubChem CID: 172526811
• Molecular Formula: C60H41N
• Molecular Weight: 795.11 g/mol
• Exact Mass: 794.44
• IUPAC Name: 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
• SMILES: [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C60H41N/c1-2-13-50(14-3-1)60-58-17-9-8-12-48(58)32-39-59(60)49-30-37-57(38-31-49)61(56-35-28-47(29-36-56)54-25-23-43-11-5-7-16-52(43)41-54)55-33-26-45(27-34-55)44-18-20-46(21-19-44)53-24-22-42-10-4-6-15-51(42)40-53/h1-41H/i5D,7D,11D,16D,23D,25D,26D,27D,28D,29D,30D,31D,33D,34D,35D,36D,37D,38D,41D
• InChIKey: VEBAAENRVJQNPG-VQUUWNCYSA-N
• XLogP: 16.95
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.11
LogP ≤ 5	16.95
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-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

The IUPAC name of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline (CID 172526811) is 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

The canonical SMILES for 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1.

What is the InChIKey of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

The InChIKey is VEBAAENRVJQNPG-VQUUWNCYSA-N. The full InChI is InChI=1S/C60H41N/c1-2-13-50(14-3-1)60-58-17-9-8-12-48(58)32-39-59(60)49-30-37-57(38-31-49)61(56-35-28-47(29-36-56)54-25-23-43-11-5-7-16-52(43)41-54)55-33-26-45(27-34-55)44-18-20-46(21-19-44)53-24-22-42-10-4-6-15-51(42)40-53/h1-41H/i5D,7D,11D,16D,23D,25D,26D,27D,28D,29D,30D,31D,33D,34D,35D,36D,37D,38D,41D.

What are the key properties of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline has a molecular weight of 795.11 g/mol, XLogP of 16.95, 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-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 172526811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).