[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane

C54H38N2OSi — CID 163579754

About [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane

[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane (PubChem CID 163579754) has the molecular formula C54H38N2OSi and a molecular weight of 759.00 g/mol. Its IUPAC name is [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane.

Molecular Properties

• Compound Name: [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane
• PubChem CID: 163579754
• Molecular Formula: C54H38N2OSi
• Molecular Weight: 759.00 g/mol
• Exact Mass: 758.28
• IUPAC Name: [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane
• SMILES: C1=CCCC([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)=C1
• InChI: InChI=1S/C54H38N2OSi/c1-4-16-37(17-5-1)55-49-25-13-10-22-43(49)45-33-32-42(34-51(45)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-50-26-14-11-23-44(50)47-36-54-48(35-52(47)56)46-24-12-15-27-53(46)57-54/h1-8,10-20,22-36H,9,21H2
• InChIKey: GGNFNITVSXBCAX-UHFFFAOYSA-N
• XLogP: 12.07
• 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	759.00
LogP ≤ 5	12.07
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-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane?

The IUPAC name of [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane (CID 163579754) is [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane.

What is the SMILES notation for [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane?

The canonical SMILES for [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane is C1=CCCC([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)=C1.

What is the InChIKey of [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane?

The InChIKey is GGNFNITVSXBCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2OSi/c1-4-16-37(17-5-1)55-49-25-13-10-22-43(49)45-33-32-42(34-51(45)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-50-26-14-11-23-44(50)47-36-54-48(35-52(47)56)46-24-12-15-27-53(46)57-54/h1-8,10-20,22-36H,9,21H2.

What are the key properties of [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane?

[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane has a molecular weight of 759.00 g/mol, XLogP of 12.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-cyclohexa-1,3-dien-1-yl-phenyl-(9-phenylcarbazol-2-yl)silane is sourced from PubChem (CID 163579754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).