[3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane

C72H48N4Si — CID 59844832

About [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane

[3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane (PubChem CID 59844832) has the molecular formula C72H48N4Si and a molecular weight of 1002.32 g/mol. Its IUPAC name is [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane.

Molecular Properties

• Compound Name: [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane
• PubChem CID: 59844832
• Molecular Formula: C72H48N4Si
• Molecular Weight: 1002.32 g/mol
• Exact Mass: 1001.40
• IUPAC Name: [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane
• SMILES: [2H]c1c(-n2c3ccccc3c3ccccc32)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2[2H])c([2H])c1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C72H48N4Si/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76/h1-48H/i43D,45D,46D,47D,48D
• InChIKey: FCDNEESKPPIAJZ-KYASRWGOSA-N
• XLogP: 15.45
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.32
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane?

The IUPAC name of [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane (CID 59844832) is [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane.

What is the SMILES notation for [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane?

The canonical SMILES for [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane is [2H]c1c(-n2c3ccccc3c3ccccc32)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2[2H])c([2H])c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane?

The InChIKey is FCDNEESKPPIAJZ-KYASRWGOSA-N. The full InChI is InChI=1S/C72H48N4Si/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76/h1-48H/i43D,45D,46D,47D,48D.

What are the key properties of [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane?

[3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane has a molecular weight of 1002.32 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-di(carbazol-9-yl)-2,6-dideuteriophenyl]-[3,5-di(carbazol-9-yl)-2,4,6-trideuteriophenyl]-diphenylsilane is sourced from PubChem (CID 59844832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).