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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline

C48H34N2 — CID 165384019

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-6-(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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (PubChem CID 165384019) has the molecular formula C48H34N2 and a molecular weight of 659.94 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-6-(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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
• PubChem CID: 165384019
• Molecular Formula: C48H34N2
• Molecular Weight: 659.94 g/mol
• Exact Mass: 659.40
• 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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
• SMILES: [2H]c1cc([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2[2H])c1[2H]
• InChI: InChI=1S/C48H34N2/c1-4-15-35(16-5-1)36-27-30-41(31-28-36)49(46-25-12-10-23-43(46)37-17-6-2-7-18-37)42-22-14-19-38(33-42)39-29-32-48-45(34-39)44-24-11-13-26-47(44)50(48)40-20-8-3-9-21-40/h1-34H/i1D,2D,4D,5D,6D,7D,12D,14D,15D,16D,17D,18D,19D,22D,23D,25D,27D,28D,30D,31D,33D
• InChIKey: LOXHULQLNOKQIE-TVWIKTMTSA-N
• XLogP: 13.25
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.94
LogP ≤ 5	13.25
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-6-(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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (CID 165384019) 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-6-(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-6-(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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is [2H]c1cc([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2[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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

The InChIKey is LOXHULQLNOKQIE-TVWIKTMTSA-N. The full InChI is InChI=1S/C48H34N2/c1-4-15-35(16-5-1)36-27-30-41(31-28-36)49(46-25-12-10-23-43(46)37-17-6-2-7-18-37)42-22-14-19-38(33-42)39-29-32-48-45(34-39)44-24-11-13-26-47(44)50(48)40-20-8-3-9-21-40/h1-34H/i1D,2D,4D,5D,6D,7D,12D,14D,15D,16D,17D,18D,19D,22D,23D,25D,27D,28D,30D,31D,33D.

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-6-(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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline has a molecular weight of 659.94 g/mol, XLogP of 13.25, 7 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-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is sourced from PubChem (CID 165384019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).