(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane

C54H36N2OSi — CID 176803027

About (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane

(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane (PubChem CID 176803027) has the molecular formula C54H36N2OSi and a molecular weight of 783.14 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane.

Molecular Properties

• Compound Name: (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane
• PubChem CID: 176803027
• Molecular Formula: C54H36N2OSi
• Molecular Weight: 783.14 g/mol
• Exact Mass: 782.42
• IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c5oc6c([2H])c([2H])c([2H])c([2H])c6c5c43)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C54H36N2OSi/c1-4-18-38(19-5-1)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-34-32-37(33-35-41)55-47-28-14-12-26-44(47)46-36-50(54-52(53(46)55)45-27-13-17-31-51(45)57-54)56-48-29-15-10-24-42(48)43-25-11-16-30-49(43)56/h1-36H/i1D,4D,5D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D
• InChIKey: JQACBNGHJUBYEJ-VZYDAECOSA-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	783.14
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 (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane?

The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane (CID 176803027) is (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane.

What is the SMILES notation for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane?

The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c5oc6c([2H])c([2H])c([2H])c([2H])c6c5c43)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane?

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

What are the key properties of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane?

(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane has a molecular weight of 783.14 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 (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,5,6-tetradeuterio-4-[1,2,3,4,7,8,9,10,11-nonadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzofuro[3,2-a]carbazol-12-yl]phenyl]silane is sourced from PubChem (CID 176803027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).