2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-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 165384002

About 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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 165384002) 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-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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: 165384002
• Molecular Formula: C64H44N2
• Molecular Weight: 858.17 g/mol
• Exact Mass: 857.46
• IUPAC Name: 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-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(-c5cccc(-c6ccccc6)c5)cc4)c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C64H44N2/c1-3-12-45(13-4-1)48-22-24-49(25-23-48)50-26-34-57(35-27-50)65(58-36-28-51(29-37-58)54-19-11-18-53(42-54)46-14-5-2-6-15-46)59-38-30-52(31-39-59)56-33-41-64-62(44-56)61-20-9-10-21-63(61)66(64)60-40-32-47-16-7-8-17-55(47)43-60/h1-44H/i1D,3D,4D,12D,13D,22D,23D,24D,25D,26D,27D,30D,31D,34D,35D,38D,39D
• InChIKey: WONSGGRNYRLUNO-RIAYYMJNSA-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-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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 165384002) is 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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(-c5cccc(-c6ccccc6)c5)cc4)c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)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-2-ylcarbazol-3-yl)-N-[4-(3-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 WONSGGRNYRLUNO-RIAYYMJNSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-12-45(13-4-1)48-22-24-49(25-23-48)50-26-34-57(35-27-50)65(58-36-28-51(29-37-58)54-19-11-18-53(42-54)46-14-5-2-6-15-46)59-38-30-52(31-39-59)56-33-41-64-62(44-56)61-20-9-10-21-63(61)66(64)60-40-32-47-16-7-8-17-55(47)43-60/h1-44H/i1D,3D,4D,12D,13D,22D,23D,24D,25D,26D,27D,30D,31D,34D,35D,38D,39D.

What are the key properties of 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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-2-ylcarbazol-3-yl)-N-[4-(3-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 165384002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).