[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

C54H36N2OSi — CID 140842671

About [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 140842671) has the molecular formula C54H36N2OSi and a molecular weight of 756.98 g/mol. Its IUPAC name is [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

• Compound Name: [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• PubChem CID: 140842671
• Molecular Formula: C54H36N2OSi
• Molecular Weight: 756.98 g/mol
• Exact Mass: 756.26
• IUPAC Name: [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• SMILES: c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)ccc32)cc1
• InChI: InChI=1S/C54H36N2OSi/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)47-36-42(32-34-50(47)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-24-46(49)53-51(56)35-33-45-44-23-12-15-27-52(44)57-54(45)53/h1-36H
• InChIKey: NKSMRXWQLRHFFD-UHFFFAOYSA-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	756.98
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 [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The IUPAC name of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 140842671) is [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

What is the SMILES notation for [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The canonical SMILES for [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)ccc32)cc1.

What is the InChIKey of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

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

What are the key properties of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane has a molecular weight of 756.98 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 [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 140842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).