1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane

C36H25NSi — CID 59221914

About 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane

1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane (PubChem CID 59221914) has the molecular formula C36H25NSi and a molecular weight of 499.69 g/mol. Its IUPAC name is 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane.

Molecular Properties

• Compound Name: 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
• PubChem CID: 59221914
• Molecular Formula: C36H25NSi
• Molecular Weight: 499.69 g/mol
• Exact Mass: 499.18
• IUPAC Name: 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cccc4c5ccccc5n3c42)cc1
• InChI: InChI=1S/C36H25NSi/c1-4-13-26(14-5-1)38(27-15-6-2-7-16-27,28-17-8-3-9-18-28)29-23-24-35-33(25-29)32-21-12-20-31-30-19-10-11-22-34(30)37(35)36(31)32/h1-25H
• InChIKey: MWUMXUPLQXBLIM-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.69
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane?

The IUPAC name of 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane (CID 59221914) is 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane.

What is the SMILES notation for 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane?

The canonical SMILES for 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cccc4c5ccccc5n3c42)cc1.

What is the InChIKey of 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane?

The InChIKey is MWUMXUPLQXBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NSi/c1-4-13-26(14-5-1)38(27-15-6-2-7-16-27,28-17-8-3-9-18-28)29-23-24-35-33(25-29)32-21-12-20-31-30-19-10-11-22-34(30)37(35)36(31)32/h1-25H.

What are the key properties of 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane?

1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane has a molecular weight of 499.69 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane is sourced from PubChem (CID 59221914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).