[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane

C87H61N5Si2 — CID 169031844

About [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane

[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 169031844) has the molecular formula C87H61N5Si2 and a molecular weight of 1232.65 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 169031844
• Molecular Formula: C87H61N5Si2
• Molecular Weight: 1232.65 g/mol
• Exact Mass: 1231.45
• IUPAC Name: [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C87H61N5Si2/c1-8-28-62(29-9-1)65-48-53-73(54-49-65)93(69-34-14-4-15-35-69,70-36-16-5-17-37-70)75-58-68(59-76(61-75)94(71-38-18-6-19-39-71,72-40-20-7-21-41-72)74-55-50-66(51-56-74)63-30-10-2-11-31-63)85-88-86(91-81-45-25-22-42-77(81)78-43-23-26-46-82(78)91)90-87(89-85)92-83-47-27-24-44-79(83)80-60-67(52-57-84(80)92)64-32-12-3-13-33-64/h1-61H
• InChIKey: QWOCOARICXRDOC-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1232.65
LogP ≤ 5	15.49
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-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane (CID 169031844) is [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane.

What is the SMILES notation for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The canonical SMILES for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.

What is the InChIKey of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The InChIKey is QWOCOARICXRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H61N5Si2/c1-8-28-62(29-9-1)65-48-53-73(54-49-65)93(69-34-14-4-15-35-69,70-36-16-5-17-37-70)75-58-68(59-76(61-75)94(71-38-18-6-19-39-71,72-40-20-7-21-41-72)74-55-50-66(51-56-74)63-30-10-2-11-31-63)85-88-86(91-81-45-25-22-42-77(81)78-43-23-26-46-82(78)91)90-87(89-85)92-83-47-27-24-44-79(83)80-60-67(52-57-84(80)92)64-32-12-3-13-33-64/h1-61H.

What are the key properties of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1232.65 g/mol, XLogP of 15.49, 14 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-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 169031844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).