1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C51H32N4S — CID 170520593

About 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 170520593) has the molecular formula C51H32N4S and a molecular weight of 765.11 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 170520593
• Molecular Formula: C51H32N4S
• Molecular Weight: 765.11 g/mol
• Exact Mass: 764.44
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c4[2H])c([2H])c3[2H])nc(-c3c([2H])c([2H])c4c(sc5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c54)c3[2H])n2)c([2H])c1[2H]
• InChI: InChI=1S/C51H32N4S/c1-3-13-34(14-4-1)40-21-12-22-44-43-30-29-38(32-47(43)56-48(40)44)51-53-49(35-15-5-2-6-16-35)52-50(54-51)36-27-25-33(26-28-36)37-17-11-18-39(31-37)55-45-23-9-7-19-41(45)42-20-8-10-24-46(42)55/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D
• InChIKey: TUKQNKDXDFHLNS-YSXIVWSZSA-N
• XLogP: 13.67
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.11
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 170520593) is 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c4[2H])c([2H])c3[2H])nc(-c3c([2H])c([2H])c4c(sc5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c54)c3[2H])n2)c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The InChIKey is TUKQNKDXDFHLNS-YSXIVWSZSA-N. The full InChI is InChI=1S/C51H32N4S/c1-3-13-34(14-4-1)40-21-12-22-44-43-30-29-38(32-47(43)56-48(40)44)51-53-49(35-15-5-2-6-16-35)52-50(54-51)36-27-25-33(26-28-36)37-17-11-18-39(31-37)55-45-23-9-7-19-41(45)42-20-8-10-24-46(42)55/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 765.11 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-[4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 170520593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).