(4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane

C56H38N2OSi — CID 165168541

About (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane

(4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane (PubChem CID 165168541) has the molecular formula C56H38N2OSi and a molecular weight of 783.02 g/mol. Its IUPAC name is (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane.

Molecular Properties

• Compound Name: (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane
• PubChem CID: 165168541
• Molecular Formula: C56H38N2OSi
• Molecular Weight: 783.02 g/mol
• Exact Mass: 782.28
• IUPAC Name: (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3c4c(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4oc32)cc1
• InChI: InChI=1S/C56H38N2OSi/c1-4-17-40(18-5-1)58-52-29-15-12-25-49(52)55-54-46(26-16-30-53(54)59-56(55)58)39-31-35-44(36-32-39)60(42-19-6-2-7-20-42,43-21-8-3-9-22-43)45-37-33-41(34-38-45)57-50-27-13-10-23-47(50)48-24-11-14-28-51(48)57/h1-38H
• InChIKey: GVUGBPGDDWJACN-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.02
LogP ≤ 5	11.67
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-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane?

The IUPAC name of (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane (CID 165168541) is (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane.

What is the SMILES notation for (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane?

The canonical SMILES for (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane is c1ccc(-n2c3ccccc3c3c4c(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4oc32)cc1.

What is the InChIKey of (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane?

The InChIKey is GVUGBPGDDWJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2OSi/c1-4-17-40(18-5-1)58-52-29-15-12-25-49(52)55-54-46(26-16-30-53(54)59-56(55)58)39-31-35-44(36-32-39)60(42-19-6-2-7-20-42,43-21-8-3-9-22-43)45-37-33-41(34-38-45)57-50-27-13-10-23-47(50)48-24-11-14-28-51(48)57/h1-38H.

What are the key properties of (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane?

(4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane has a molecular weight of 783.02 g/mol, XLogP of 11.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane is sourced from PubChem (CID 165168541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).