[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane

C80H52N6Si — CID 176635555

About [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane (PubChem CID 176635555) has the molecular formula C80H52N6Si and a molecular weight of 1145.55 g/mol. Its IUPAC name is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane.

Molecular Properties

• Compound Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane
• PubChem CID: 176635555
• Molecular Formula: C80H52N6Si
• Molecular Weight: 1145.55 g/mol
• Exact Mass: 1144.53
• IUPAC Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane
• SMILES: [2H]c1c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2ccccc2C32c3ccccc3-c3c2ccc2ccccc32)c1[2H]
• InChI: InChI=1S/C80H52N6Si/c1-4-27-55(28-5-1)84-74-46-23-18-41-67(74)80(66-40-17-12-39-65(66)76-60-34-11-10-25-53(60)47-49-69(76)80)68-50-48-59(52-75(68)84)87(56-29-6-2-7-30-56,57-31-8-3-9-32-57)58-33-24-26-54(51-58)77-81-78(85-70-42-19-13-35-61(70)62-36-14-20-43-71(62)85)83-79(82-77)86-72-44-21-15-37-63(72)64-38-16-22-45-73(64)86/h1-52H/i13D,14D,15D,16D,19D,20D,21D,22D,24D,26D,33D,35D,36D,37D,38D,42D,43D,44D,45D,51D
• InChIKey: NEJZAYAACSXTJS-KIHFZYHASA-N
• XLogP: 16.41
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.55
LogP ≤ 5	16.41
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 [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane?

The IUPAC name of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane (CID 176635555) is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane.

What is the SMILES notation for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane?

The canonical SMILES for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane is [2H]c1c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2ccccc2C32c3ccccc3-c3c2ccc2ccccc32)c1[2H].

What is the InChIKey of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane?

The InChIKey is NEJZAYAACSXTJS-KIHFZYHASA-N. The full InChI is InChI=1S/C80H52N6Si/c1-4-27-55(28-5-1)84-74-46-23-18-41-67(74)80(66-40-17-12-39-65(66)76-60-34-11-10-25-53(60)47-49-69(76)80)68-50-48-59(52-75(68)84)87(56-29-6-2-7-30-56,57-31-8-3-9-32-57)58-33-24-26-54(51-58)77-81-78(85-70-42-19-13-35-61(70)62-36-14-20-43-71(62)85)83-79(82-77)86-72-44-21-15-37-63(72)64-38-16-22-45-73(64)86/h1-52H/i13D,14D,15D,16D,19D,20D,21D,22D,24D,26D,33D,35D,36D,37D,38D,42D,43D,44D,45D,51D.

What are the key properties of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane?

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane has a molecular weight of 1145.55 g/mol, XLogP of 16.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(10-phenylspiro[acridine-9,7'-benzo[c]fluorene]-3-yl)silane is sourced from PubChem (CID 176635555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).