2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

C64H44N2 — CID 165383932

About 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 165383932) has the molecular formula C64H44N2 and a molecular weight of 858.17 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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: 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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: 165383932
• Molecular Formula: C64H44N2
• Molecular Weight: 858.17 g/mol
• Exact Mass: 857.46
• IUPAC Name: 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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(-c5ccccc5-c5ccccc5)cc4)c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C64H44N2/c1-3-14-45(15-4-1)46-26-28-47(29-27-46)48-30-37-54(38-31-48)65(56-41-34-52(35-42-56)58-21-10-9-20-57(58)50-16-5-2-6-17-50)55-39-32-49(33-40-55)53-36-43-64-61(44-53)60-23-11-12-24-63(60)66(64)62-25-13-19-51-18-7-8-22-59(51)62/h1-44H/i1D,3D,4D,14D,15D,26D,27D,28D,29D,30D,31D,32D,33D,37D,38D,39D,40D
• InChIKey: CPCJREXPGQEDGG-IFPVQIFLSA-N
• XLogP: 17.74
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.17
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 165383932) is 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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(-c5ccccc5-c5ccccc5)cc4)c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 CPCJREXPGQEDGG-IFPVQIFLSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-14-45(15-4-1)46-26-28-47(29-27-46)48-30-37-54(38-31-48)65(56-41-34-52(35-42-56)58-21-10-9-20-57(58)50-16-5-2-6-17-50)55-39-32-49(33-40-55)53-36-43-64-61(44-53)60-23-11-12-24-63(60)66(64)62-25-13-19-51-18-7-8-22-59(51)62/h1-44H/i1D,3D,4D,14D,15D,26D,27D,28D,29D,30D,31D,32D,33D,37D,38D,39D,40D.

What are the key properties of 2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 858.17 g/mol, XLogP of 17.74, 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-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 165383932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).