2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

C60H42N2 — CID 165384132

About 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 165384132) has the molecular formula C60H42N2 and a molecular weight of 808.11 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• PubChem CID: 165384132
• Molecular Formula: C60H42N2
• Molecular Weight: 808.11 g/mol
• Exact Mass: 807.44
• IUPAC Name: 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)c([2H])c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C60H42N2/c1-4-15-43(16-5-1)45-27-34-52(35-28-45)61(53-36-29-46(30-37-53)50-22-14-21-49(41-50)44-17-6-2-7-18-44)54-38-31-47(32-39-54)51-33-40-60-57(42-51)56-24-11-13-26-59(56)62(60)58-25-12-10-23-55(58)48-19-8-3-9-20-48/h1-42H/i2D,6D,7D,14D,17D,18D,21D,22D,29D,30D,31D,32D,36D,37D,38D,39D,41D
• InChIKey: HZPFJQKJZZYPTR-SDZBZIGCSA-N
• XLogP: 16.59
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.11
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The IUPAC name of 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 165384132) is 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

What is the SMILES notation for 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The canonical SMILES for 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)c([2H])c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The InChIKey is HZPFJQKJZZYPTR-SDZBZIGCSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-15-43(16-5-1)45-27-34-52(35-28-45)61(53-36-29-46(30-37-53)50-22-14-21-49(41-50)44-17-6-2-7-18-44)54-38-31-47(32-39-54)51-33-40-60-57(42-51)56-24-11-13-26-59(56)62(60)58-25-12-10-23-55(58)48-19-8-3-9-20-48/h1-42H/i2D,6D,7D,14D,17D,18D,21D,22D,29D,30D,31D,32D,36D,37D,38D,39D,41D.

What are the key properties of 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline has a molecular weight of 808.11 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 165384132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).