[3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane

C58H41N3OSi2 — CID 140952220

About [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane

[3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane (PubChem CID 140952220) has the molecular formula C58H41N3OSi2 and a molecular weight of 852.16 g/mol. Its IUPAC name is [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane.

Molecular Properties

• Compound Name: [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
• PubChem CID: 140952220
• Molecular Formula: C58H41N3OSi2
• Molecular Weight: 852.16 g/mol
• Exact Mass: 851.28
• IUPAC Name: [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-n3c4ccc5c(c4c4cccnc43)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C58H41N3OSi2/c1-5-22-44(23-6-1)63(45-24-7-2-8-25-45,48-30-17-20-42(40-48)51-33-15-16-38-59-51)49-31-18-21-43(41-49)61-52-36-37-55-57(56(52)50-32-19-39-60-58(50)61)62-53-34-13-14-35-54(53)64(55,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-41H
• InChIKey: QWANJKWOWMBNFY-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.16
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane?

The IUPAC name of [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane (CID 140952220) is [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane.

What is the SMILES notation for [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane?

The canonical SMILES for [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-n3c4ccc5c(c4c4cccnc43)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane?

The InChIKey is QWANJKWOWMBNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3OSi2/c1-5-22-44(23-6-1)63(45-24-7-2-8-25-45,48-30-17-20-42(40-48)51-33-15-16-38-59-51)49-31-18-21-43(41-49)61-52-36-37-55-57(56(52)50-32-19-39-60-58(50)61)62-53-34-13-14-35-54(53)64(55,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-41H.

What are the key properties of [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane?

[3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane has a molecular weight of 852.16 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane is sourced from PubChem (CID 140952220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).