bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane

C48H34N2Si — CID 172534683

About bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane

bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane (PubChem CID 172534683) has the molecular formula C48H34N2Si and a molecular weight of 676.96 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane.

Molecular Properties

• Compound Name: bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
• PubChem CID: 172534683
• Molecular Formula: C48H34N2Si
• Molecular Weight: 676.96 g/mol
• Exact Mass: 676.31
• IUPAC Name: bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H34N2Si/c1-5-17-35(18-6-1)50-44-27-15-13-25-41(44)42-33-34-46-47(48(42)50)43-26-14-16-28-45(43)49(46)36-29-31-40(32-30-36)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H/i2D,3D,7D,8D,9D,10D,19D,20D,21D,22D
• InChIKey: DWBUGHINLFZFQJ-RFAWQOQISA-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 bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

The IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane (CID 172534683) is bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane.

What is the SMILES notation for bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

The canonical SMILES for bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

The InChIKey is DWBUGHINLFZFQJ-RFAWQOQISA-N. The full InChI is InChI=1S/C48H34N2Si/c1-5-17-35(18-6-1)50-44-27-15-13-25-41(44)42-33-34-46-47(48(42)50)43-26-14-16-28-45(43)49(46)36-29-31-40(32-30-36)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H/i2D,3D,7D,8D,9D,10D,19D,20D,21D,22D.

What are the key properties of bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane 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 bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane is sourced from PubChem (CID 172534683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).