9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C48H32N2Si — CID 140873053

About 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 140873053) has the molecular formula C48H32N2Si and a molecular weight of 664.88 g/mol. Its IUPAC name is 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 140873053
• Molecular Formula: C48H32N2Si
• Molecular Weight: 664.88 g/mol
• Exact Mass: 664.23
• IUPAC Name: 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-6)c4ccc32)cc1
• InChI: InChI=1S/C48H32N2Si/c1-4-16-33(17-5-1)49-41-25-13-10-23-39(41)47-43(49)30-31-44-48(47)40-24-11-14-26-42(40)50(44)34-28-29-38-37-22-12-15-27-45(37)51(46(38)32-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-32H
• InChIKey: CELJGWHJSFNATB-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.88
LogP ≤ 5	9.24
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-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 140873053) is 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-6)c4ccc32)cc1.

What is the InChIKey of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is CELJGWHJSFNATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2Si/c1-4-16-33(17-5-1)49-41-25-13-10-23-39(41)47-43(49)30-31-44-48(47)40-24-11-14-26-42(40)50(44)34-28-29-38-37-22-12-15-27-45(37)51(46(38)32-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-32H.

What are the key properties of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 664.88 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 140873053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).