(21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

C61H44N4OSi2 — CID 140953864

About (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

(21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (PubChem CID 140953864) has the molecular formula C61H44N4OSi2 and a molecular weight of 905.22 g/mol. Its IUPAC name is (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
• PubChem CID: 140953864
• Molecular Formula: C61H44N4OSi2
• Molecular Weight: 905.22 g/mol
• Exact Mass: 904.31
• IUPAC Name: (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
• SMILES: Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc4c(c5oc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)c2)nc2ccccc21
• InChI: InChI=1S/C61H44N4OSi2/c1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57/h2-42H,1H3
• InChIKey: YJJVWMJBAJWFSN-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.22
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The IUPAC name of (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (CID 140953864) is (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

What is the SMILES notation for (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The canonical SMILES for (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc4c(c5oc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)c2)nc2ccccc21.

What is the InChIKey of (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The InChIKey is YJJVWMJBAJWFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4OSi2/c1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57/h2-42H,1H3.

What are the key properties of (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

(21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane has a molecular weight of 905.22 g/mol, XLogP of 9.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 140953864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).