trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane

C44H41N3OSi+2 — CID 174080813

About trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane

trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane (PubChem CID 174080813) has the molecular formula C44H41N3OSi+2 and a molecular weight of 655.92 g/mol. Its IUPAC name is trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane
• PubChem CID: 174080813
• Molecular Formula: C44H41N3OSi+2
• Molecular Weight: 655.92 g/mol
• Exact Mass: 655.30
• IUPAC Name: trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane
• SMILES: C=C/C=C(\C)[n+]1c2n(c3ccccc31)C(=C)C1C(CCc3ccc4c(oc5ccccc54)c3-2)c2ccccc2-c2ccc([Si](C)(C)C)c[n+]21
• InChI: InChI=1S/C44H41N3OSi/c1-7-14-28(2)46-38-18-11-12-19-39(38)47-29(3)42-35(32-15-8-9-16-33(32)37-26-23-31(27-45(37)42)49(4,5)6)24-21-30-22-25-36-34-17-10-13-20-40(34)48-43(36)41(30)44(46)47/h7-20,22-23,25-27,35,42H,1,3,21,24H2,2,4-6H3/q+2/b28-14+
• InChIKey: VLYVNXKKAVHFOD-CCVNUDIWSA-N
• XLogP: 9.80
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.92
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane?

The IUPAC name of trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane (CID 174080813) is trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane.

What is the SMILES notation for trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane?

The canonical SMILES for trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane is C=C/C=C(\C)[n+]1c2n(c3ccccc31)C(=C)C1C(CCc3ccc4c(oc5ccccc54)c3-2)c2ccccc2-c2ccc([Si](C)(C)C)c[n+]21.

What is the InChIKey of trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane?

The InChIKey is VLYVNXKKAVHFOD-CCVNUDIWSA-N. The full InChI is InChI=1S/C44H41N3OSi/c1-7-14-28(2)46-38-18-11-12-19-39(38)47-29(3)42-35(32-15-8-9-16-33(32)37-26-23-31(27-45(37)42)49(4,5)6)24-21-30-22-25-36-34-17-10-13-20-40(34)48-43(36)41(30)44(46)47/h7-20,22-23,25-27,35,42H,1,3,21,24H2,2,4-6H3/q+2/b28-14+.

What are the key properties of trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane?

trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane has a molecular weight of 655.92 g/mol, XLogP of 9.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-methylidene-10-[(2E)-penta-2,4-dien-2-yl]-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]silane is sourced from PubChem (CID 174080813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).