[6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

C30H30N2Si — CID 163956322

About [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

[6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (PubChem CID 163956322) has the molecular formula C30H30N2Si and a molecular weight of 446.67 g/mol. Its IUPAC name is [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

• Compound Name: [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
• PubChem CID: 163956322
• Molecular Formula: C30H30N2Si
• Molecular Weight: 446.67 g/mol
• Exact Mass: 446.22
• IUPAC Name: [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
• SMILES: CC(C)Cc1cc(-c2ccc3c(c2)c2cccc4c5ccccc5n3c42)ncc1[Si](C)(C)C
• InChI: InChI=1S/C30H30N2Si/c1-19(2)15-21-17-26(31-18-29(21)33(3,4)5)20-13-14-28-25(16-20)24-11-8-10-23-22-9-6-7-12-27(22)32(28)30(23)24/h6-14,16-19H,15H2,1-5H3
• InChIKey: AULFFROXPHSJRT-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.67
LogP ≤ 5	7.64
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 [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?

The IUPAC name of [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (CID 163956322) is [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.

What is the SMILES notation for [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?

The canonical SMILES for [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is CC(C)Cc1cc(-c2ccc3c(c2)c2cccc4c5ccccc5n3c42)ncc1[Si](C)(C)C.

What is the InChIKey of [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?

The InChIKey is AULFFROXPHSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2Si/c1-19(2)15-21-17-26(31-18-29(21)33(3,4)5)20-13-14-28-25(16-20)24-11-8-10-23-22-9-6-7-12-27(22)32(28)30(23)24/h6-14,16-19H,15H2,1-5H3.

What are the key properties of [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?

[6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 446.67 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(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)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 163956322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).