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

C89H73N5Si2 — CID 169031725

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

[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 169031725) has the molecular formula C89H73N5Si2 and a molecular weight of 1268.77 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-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-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 169031725
• Molecular Formula: C89H73N5Si2
• Molecular Weight: 1268.77 g/mol
• Exact Mass: 1267.54
• IUPAC Name: [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C89H73N5Si2/c1-88(2,3)67-49-55-83-79(59-67)80-60-68(89(4,5)6)50-56-84(80)94(83)87-91-85(90-86(92-87)93-81-43-27-25-41-77(81)78-42-26-28-44-82(78)93)66-57-75(95(69-33-17-9-18-34-69,70-35-19-10-20-36-70)73-51-45-64(46-52-73)62-29-13-7-14-30-62)61-76(58-66)96(71-37-21-11-22-38-71,72-39-23-12-24-40-72)74-53-47-65(48-54-74)63-31-15-8-16-32-63/h7-61H,1-6H3
• InChIKey: HTXCWNNBGQQUSD-UHFFFAOYSA-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	1268.77
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]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane (CID 169031725) is [3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-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-(3,6-ditert-butylcarbazol-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-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.

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

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

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

[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1268.77 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]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 169031725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).