(1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane

C63H41N5SSi — CID 177070181

About (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane

(1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 177070181) has the molecular formula C63H41N5SSi and a molecular weight of 969.46 g/mol. Its IUPAC name is (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 177070181
• Molecular Formula: C63H41N5SSi
• Molecular Weight: 969.46 g/mol
• Exact Mass: 968.54
• IUPAC Name: (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c([2H])c4-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)n3)c2[2H])c2c([2H])c([2H])c3sc4c([2H])c([2H])c([2H])c([2H])c4c3c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C63H41N5SSi/c1-3-21-43(22-4-1)70(44-23-5-2-6-24-44,46-38-39-60-53(41-46)51-30-12-18-37-59(51)69-60)45-25-19-20-42(40-45)61-64-62(66-63(65-61)68-56-34-15-9-28-49(56)50-29-10-16-35-57(50)68)52-31-11-17-36-58(52)67-54-32-13-7-26-47(54)48-27-8-14-33-55(48)67/h1-41H/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,33D,34D,35D,36D,37D,38D,39D,40D,41D
• InChIKey: WGVIRIXJKGAYEQ-QIHDECFVSA-N
• XLogP: 13.15
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.46
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (CID 177070181) is (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c([2H])c4-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)n3)c2[2H])c2c([2H])c([2H])c3sc4c([2H])c([2H])c([2H])c([2H])c4c3c2[2H])c([2H])c1[2H].

What is the InChIKey of (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is WGVIRIXJKGAYEQ-QIHDECFVSA-N. The full InChI is InChI=1S/C63H41N5SSi/c1-3-21-43(22-4-1)70(44-23-5-2-6-24-44,46-38-39-60-53(41-46)51-30-12-18-37-59(51)69-60)45-25-19-20-42(40-45)61-64-62(66-63(65-61)68-56-34-15-9-28-49(56)50-29-10-16-35-57(50)68)52-31-11-17-36-58(52)67-54-32-13-7-26-47(54)48-27-8-14-33-55(48)67/h1-41H/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,33D,34D,35D,36D,37D,38D,39D,40D,41D.

What are the key properties of (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

(1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 969.46 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 177070181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).