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

C60H40N2OSi — CID 176803020

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

[4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 176803020) has the molecular formula C60H40N2OSi and a molecular weight of 837.10 g/mol. Its IUPAC name is [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 176803020
• Molecular Formula: C60H40N2OSi
• Molecular Weight: 837.10 g/mol
• Exact Mass: 836.32
• IUPAC Name: [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C60H40N2OSi/c1-4-19-41(20-5-1)42-21-18-26-47(39-42)64(44-22-6-2-7-23-44,45-24-8-3-9-25-45)46-37-35-43(36-38-46)61-53-31-14-12-29-50(53)52-40-56(60-58(59(52)61)51-30-13-17-34-57(51)63-60)62-54-32-15-10-27-48(54)49-28-11-16-33-55(49)62/h1-40H/i12D,14D,29D,31D
• InChIKey: NAWVWYDIRVRUFN-KXUUJRKUSA-N
• XLogP: 12.82
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.10
LogP ≤ 5	12.82
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 [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane (CID 176803020) is [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane.

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

The canonical SMILES for [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1.

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

The InChIKey is NAWVWYDIRVRUFN-KXUUJRKUSA-N. The full InChI is InChI=1S/C60H40N2OSi/c1-4-19-41(20-5-1)42-21-18-26-47(39-42)64(44-22-6-2-7-23-44,45-24-8-3-9-25-45)46-37-35-43(36-38-46)61-53-31-14-12-29-50(53)52-40-56(60-58(59(52)61)51-30-13-17-34-57(51)63-60)62-54-32-15-10-27-48(54)49-28-11-16-33-55(49)62/h1-40H/i12D,14D,29D,31D.

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

[4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 837.10 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-carbazol-9-yl-8,9,10,11-tetradeuterio-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 176803020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).