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

C60H42N2 — CID 165384192

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

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 165384192) has the molecular formula C60H42N2 and a molecular weight of 808.11 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• PubChem CID: 165384192
• Molecular Formula: C60H42N2
• Molecular Weight: 808.11 g/mol
• Exact Mass: 807.44
• IUPAC Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c([2H])c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C60H42N2/c1-4-13-43(14-5-1)45-23-27-47(28-24-45)49-31-36-54(37-32-49)61(55-38-33-50(34-39-55)48-29-25-46(26-30-48)44-15-6-2-7-16-44)56-20-12-17-51(41-56)52-35-40-60-58(42-52)57-21-10-11-22-59(57)62(60)53-18-8-3-9-19-53/h1-42H/i1D,4D,5D,12D,13D,14D,17D,20D,23D,24D,27D,28D,31D,32D,36D,37D,41D
• InChIKey: WVRNWCULTVFVCT-RZKYCMHNSA-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 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 165384192) is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c([2H])c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].

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

The InChIKey is WVRNWCULTVFVCT-RZKYCMHNSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-13-43(14-5-1)45-23-27-47(28-24-45)49-31-36-54(37-32-49)61(55-38-33-50(34-39-55)48-29-25-46(26-30-48)44-15-6-2-7-16-44)56-20-12-17-51(41-56)52-35-40-60-58(42-52)57-21-10-11-22-59(57)62(60)53-18-8-3-9-19-53/h1-42H/i1D,4D,5D,12D,13D,14D,17D,20D,23D,24D,27D,28D,31D,32D,36D,37D,41D.

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

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 165384192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).