[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

C89H73N5Si2 — CID 169031797

About [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (PubChem CID 169031797) has the molecular formula C89H73N5Si2 and a molecular weight of 1281.85 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
• PubChem CID: 169031797
• Molecular Formula: C89H73N5Si2
• Molecular Weight: 1281.85 g/mol
• Exact Mass: 1280.62
• IUPAC Name: [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)n4)c([2H])c([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4)c3[2H])c2)c([2H])c1[2H]
• InChI: InChI=1S/C89H73N5Si2/c1-88(2,3)67-51-53-83-79(59-67)80-60-68(89(4,5)6)52-54-84(80)94(83)87-91-85(90-86(92-87)93-81-49-27-25-47-77(81)78-48-26-28-50-82(78)93)66-57-75(95(69-37-17-9-18-38-69,70-39-19-10-20-40-70)73-45-29-35-64(55-73)62-31-13-7-14-32-62)61-76(58-66)96(71-41-21-11-22-42-71,72-43-23-12-24-44-72)74-46-30-36-65(56-74)63-33-15-8-16-34-63/h7-61H,1-6H3/i7D,8D,13D,14D,15D,16D,31D,32D,33D,34D,57D,58D,61D
• InChIKey: GHWLLCUZOOVCHD-QOILORQXSA-N
• XLogP: 16.42
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.85
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (CID 169031797) is [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

What is the SMILES notation for [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The canonical SMILES for [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)n4)c([2H])c([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4)c3[2H])c2)c([2H])c1[2H].

What is the InChIKey of [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The InChIKey is GHWLLCUZOOVCHD-QOILORQXSA-N. The full InChI is InChI=1S/C89H73N5Si2/c1-88(2,3)67-51-53-83-79(59-67)80-60-68(89(4,5)6)52-54-84(80)94(83)87-91-85(90-86(92-87)93-81-49-27-25-47-77(81)78-48-26-28-50-82(78)93)66-57-75(95(69-37-17-9-18-38-69,70-39-19-10-20-40-70)73-45-29-35-64(55-73)62-31-13-7-14-32-62)61-76(58-66)96(71-41-21-11-22-42-71,72-43-23-12-24-44-72)74-46-30-36-65(56-74)63-33-15-8-16-34-63/h7-61H,1-6H3/i7D,8D,13D,14D,15D,16D,31D,32D,33D,34D,57D,58D,61D.

What are the key properties of [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane has a molecular weight of 1281.85 g/mol, XLogP of 16.42, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is sourced from PubChem (CID 169031797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).