(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane

C48H34N2Si — CID 164756684

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

(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane (PubChem CID 164756684) has the molecular formula C48H34N2Si and a molecular weight of 676.96 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane.

Molecular Properties

• Compound Name: (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
• PubChem CID: 164756684
• Molecular Formula: C48H34N2Si
• Molecular Weight: 676.96 g/mol
• Exact Mass: 676.31
• IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])ccc54)ccc32)c([2H])c1[2H]
• InChI: InChI=1S/C48H34N2Si/c1-5-17-35(18-6-1)49-45-27-15-13-25-41(45)43-33-36(29-31-47(43)49)50-46-28-16-14-26-42(46)44-34-40(30-32-48(44)50)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D
• InChIKey: XNIFLERAGXPDFT-TZAYFOPYSA-N
• XLogP: 9.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.96
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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

The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane (CID 164756684) is (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane.

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

The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])ccc54)ccc32)c([2H])c1[2H].

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

The InChIKey is XNIFLERAGXPDFT-TZAYFOPYSA-N. The full InChI is InChI=1S/C48H34N2Si/c1-5-17-35(18-6-1)49-45-27-15-13-25-41(45)43-33-36(29-31-47(43)49)50-46-28-16-14-26-42(46)44-34-40(30-32-48(44)50)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D.

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

(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane has a molecular weight of 676.96 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane is sourced from PubChem (CID 164756684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).