[20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane

C43H55N2Si2+ — CID 169015566

About [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane

[20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane (PubChem CID 169015566) has the molecular formula C43H55N2Si2+ and a molecular weight of 656.10 g/mol. Its IUPAC name is [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane
• PubChem CID: 169015566
• Molecular Formula: C43H55N2Si2+
• Molecular Weight: 656.10 g/mol
• Exact Mass: 655.39
• IUPAC Name: [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane
• SMILES: Cc1c2cc(CC(C)(C)C)ccc2c(CC(C)(C)C)c2c1c1c3c(cc[n+]1C)c([Si](C)(C)C)c([Si](C)(C)C)c1c4ccccc4n2c13
• InChI: InChI=1S/C43H55N2Si2/c1-26-31-23-27(24-42(2,3)4)19-20-28(31)32(25-43(5,6)7)37-34(26)38-35-30(21-22-44(38)8)40(46(9,10)11)41(47(12,13)14)36-29-17-15-16-18-33(29)45(37)39(35)36/h15-23H,24-25H2,1-14H3/q+1
• InChIKey: VPWBSYGQOCGYAR-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.10
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane?

The IUPAC name of [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane (CID 169015566) is [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane.

What is the SMILES notation for [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane?

The canonical SMILES for [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane is Cc1c2cc(CC(C)(C)C)ccc2c(CC(C)(C)C)c2c1c1c3c(cc[n+]1C)c([Si](C)(C)C)c([Si](C)(C)C)c1c4ccccc4n2c13.

What is the InChIKey of [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane?

The InChIKey is VPWBSYGQOCGYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55N2Si2/c1-26-31-23-27(24-42(2,3)4)19-20-28(31)32(25-43(5,6)7)37-34(26)38-35-30(21-22-44(38)8)40(46(9,10)11)41(47(12,13)14)36-29-17-15-16-18-33(29)45(37)39(35)36/h15-23H,24-25H2,1-14H3/q+1.

What are the key properties of [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane?

[20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane has a molecular weight of 656.10 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane is sourced from PubChem (CID 169015566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).