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

C54H38N2 — CID 165384111

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

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (PubChem CID 165384111) has the molecular formula C54H38N2 and a molecular weight of 741.07 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
• PubChem CID: 165384111
• Molecular Formula: C54H38N2
• Molecular Weight: 741.07 g/mol
• Exact Mass: 740.47
• IUPAC Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C54H38N2/c1-5-16-39(17-6-1)41-28-32-47(33-29-41)55(53-34-30-44(40-18-7-2-8-19-40)37-50(53)42-20-9-3-10-21-42)48-25-15-22-43(36-48)45-31-35-54-51(38-45)49-26-13-14-27-52(49)56(54)46-23-11-4-12-24-46/h1-38H/i1D,2D,3D,5D,6D,7D,8D,9D,10D,15D,16D,17D,18D,19D,20D,21D,22D,25D,28D,29D,30D,32D,33D,34D,36D,37D
• InChIKey: KDMDPUKZKYSXJY-NRTLPWFVSA-N
• XLogP: 14.92
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.07
LogP ≤ 5	14.92
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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

The IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (CID 165384111) is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline.

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

The canonical SMILES for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3-c3c([2H])c([2H])c([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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

The InChIKey is KDMDPUKZKYSXJY-NRTLPWFVSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-16-39(17-6-1)41-28-32-47(33-29-41)55(53-34-30-44(40-18-7-2-8-19-40)37-50(53)42-20-9-3-10-21-42)48-25-15-22-43(36-48)45-31-35-54-51(38-45)49-26-13-14-27-52(49)56(54)46-23-11-4-12-24-46/h1-38H/i1D,2D,3D,5D,6D,7D,8D,9D,10D,15D,16D,17D,18D,19D,20D,21D,22D,25D,28D,29D,30D,32D,33D,34D,36D,37D.

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

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline has a molecular weight of 741.07 g/mol, XLogP of 14.92, 8 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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is sourced from PubChem (CID 165384111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).