8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine

C47H28N2OSi — CID 140752184

About 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine

8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 140752184) has the molecular formula C47H28N2OSi and a molecular weight of 664.84 g/mol. Its IUPAC name is 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 140752184
• Molecular Formula: C47H28N2OSi
• Molecular Weight: 664.84 g/mol
• Exact Mass: 664.20
• IUPAC Name: 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc2c(c1)-c1ccccc1[Si]21c2cc(-c3ccc4oc5cccnc5c4c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C47H28N2OSi/c1-5-14-39-32(10-1)33-11-2-6-15-40(33)49(39)31-21-23-37-36-22-19-30(29-20-24-41-38(26-29)47-42(50-41)16-9-25-48-47)27-45(36)51(46(37)28-31)43-17-7-3-12-34(43)35-13-4-8-18-44(35)51/h1-28H
• InChIKey: DDPDLTHNZHFYKQ-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.84
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine (CID 140752184) is 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)-c1ccccc1[Si]21c2cc(-c3ccc4oc5cccnc5c4c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine?

The InChIKey is DDPDLTHNZHFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2OSi/c1-5-14-39-32(10-1)33-11-2-6-15-40(33)49(39)31-21-23-37-36-22-19-30(29-20-24-41-38(26-29)47-42(50-41)16-9-25-48-47)27-45(36)51(46(37)28-31)43-17-7-3-12-34(43)35-13-4-8-18-44(35)51/h1-28H.

What are the key properties of 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine?

8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 664.84 g/mol, XLogP of 9.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 140752184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).