[3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

C54H36N2OSi — CID 176802947

About [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

[3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (PubChem CID 176802947) has the molecular formula C54H36N2OSi and a molecular weight of 776.10 g/mol. Its IUPAC name is [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

Molecular Properties

• Compound Name: [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
• PubChem CID: 176802947
• Molecular Formula: C54H36N2OSi
• Molecular Weight: 776.10 g/mol
• Exact Mass: 775.38
• IUPAC Name: [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c43)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C54H36N2OSi/c1-4-20-38(21-5-1)58(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)55-47-31-14-12-29-44(47)46-36-50(54-52(53(46)55)45-30-13-17-34-51(45)57-54)56-48-32-15-10-27-42(48)43-28-11-16-33-49(43)56/h1-36H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,18D,19D,20D,21D,22D,23D,24D,25D,26D,35D
• InChIKey: DSAOAOKEUQTYQV-JKWCWKHISA-N
• XLogP: 11.16
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.10
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The IUPAC name of [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (CID 176802947) is [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

What is the SMILES notation for [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The canonical SMILES for [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c43)c2[2H])c([2H])c1[2H].

What is the InChIKey of [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The InChIKey is DSAOAOKEUQTYQV-JKWCWKHISA-N. The full InChI is InChI=1S/C54H36N2OSi/c1-4-20-38(21-5-1)58(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)55-47-31-14-12-29-44(47)46-36-50(54-52(53(46)55)45-30-13-17-34-51(45)57-54)56-48-32-15-10-27-42(48)43-28-11-16-33-49(43)56/h1-36H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,18D,19D,20D,21D,22D,23D,24D,25D,26D,35D.

What are the key properties of [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

[3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane has a molecular weight of 776.10 g/mol, XLogP of 11.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is sourced from PubChem (CID 176802947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).