9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole

C48H33NOSi2 — CID 149296374

About 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole

9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole (PubChem CID 149296374) has the molecular formula C48H33NOSi2 and a molecular weight of 695.97 g/mol. Its IUPAC name is 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole.

Molecular Properties

• Compound Name: 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
• PubChem CID: 149296374
• Molecular Formula: C48H33NOSi2
• Molecular Weight: 695.97 g/mol
• Exact Mass: 695.21
• IUPAC Name: 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
• InChI: InChI=1S/C48H33NOSi2/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)45-29-15-16-30-46(45)52(43-27-13-11-25-41(43)50-42-26-12-14-28-44(42)52)48-33-34(31-32-47(48)51)49-39-23-9-7-21-37(39)38-22-8-10-24-40(38)49/h1-33H
• InChIKey: XVWFQPYUBPHFAC-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.97
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole?

The IUPAC name of 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole (CID 149296374) is 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole.

What is the SMILES notation for 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole?

The canonical SMILES for 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole is c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.

What is the InChIKey of 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole?

The InChIKey is XVWFQPYUBPHFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NOSi2/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)45-29-15-16-30-46(45)52(43-27-13-11-25-41(43)50-42-26-12-14-28-44(42)52)48-33-34(31-32-47(48)51)49-39-23-9-7-21-37(39)38-22-8-10-24-40(38)49/h1-33H.

What are the key properties of 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole?

9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole has a molecular weight of 695.97 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole is sourced from PubChem (CID 149296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).