9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole

C120H76N8S2 — CID 163918399

About 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole

9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole (PubChem CID 163918399) has the molecular formula C120H76N8S2 and a molecular weight of 1704.18 g/mol. Its IUPAC name is 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole
• PubChem CID: 163918399
• Molecular Formula: C120H76N8S2
• Molecular Weight: 1704.18 g/mol
• Exact Mass: 1702.63
• IUPAC Name: 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc6c5sc5c(-c7ccccc7)cccc56)c4)cc3)n2)c([2H])c1[2H]
• InChI: InChI=1S/C63H40N4S.C57H36N4S/c1-5-17-41(18-6-1)48-35-36-53-52-27-13-14-30-57(52)67(58(53)38-48)50-39-55(60-56(40-50)54-29-16-28-51(59(54)68-60)43-19-7-2-8-20-43)49-26-15-25-47(37-49)42-31-33-46(34-32-42)63-65-61(44-21-9-3-10-22-44)64-62(66-63)45-23-11-4-12-24-45;1-4-16-38(17-5-1)45-26-15-27-48-50-36-44(61-51-28-12-10-24-46(51)47-25-11-13-29-52(47)61)35-49(54(50)62-53(45)48)39-32-30-37(31-33-39)42-22-14-23-43(34-42)57-59-55(40-18-6-2-7-19-40)58-56(60-57)41-20-8-3-9-21-41/h1-40H;1-36H/i3D,9D,10D,21D,22D;1D,4D,5D,16D,17D
• InChIKey: QYHHGINGRGIHPG-YOMCNYQNSA-N
• XLogP: 32.34
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1704.18
LogP ≤ 5	32.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole?

The IUPAC name of 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole (CID 163918399) is 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole.

What is the SMILES notation for 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole?

The canonical SMILES for 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc6c5sc5c(-c7ccccc7)cccc56)c4)cc3)n2)c([2H])c1[2H].

What is the InChIKey of 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole?

The InChIKey is QYHHGINGRGIHPG-YOMCNYQNSA-N. The full InChI is InChI=1S/C63H40N4S.C57H36N4S/c1-5-17-41(18-6-1)48-35-36-53-52-27-13-14-30-57(52)67(58(53)38-48)50-39-55(60-56(40-50)54-29-16-28-51(59(54)68-60)43-19-7-2-8-20-43)49-26-15-25-47(37-49)42-31-33-46(34-32-42)63-65-61(44-21-9-3-10-22-44)64-62(66-63)45-23-11-4-12-24-45;1-4-16-38(17-5-1)45-26-15-27-48-50-36-44(61-51-28-12-10-24-46(51)47-25-11-13-29-52(47)61)35-49(54(50)62-53(45)48)39-32-30-37(31-33-39)42-22-14-23-43(34-42)57-59-55(40-18-6-2-7-19-40)58-56(60-57)41-20-8-3-9-21-41/h1-40H;1-36H/i3D,9D,10D,21D,22D;1D,4D,5D,16D,17D.

What are the key properties of 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole?

9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole has a molecular weight of 1704.18 g/mol, XLogP of 32.34, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 163918399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).