trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane

C53H60N4OSi+2 — CID 174080499

About trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane

trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane (PubChem CID 174080499) has the molecular formula C53H60N4OSi+2 and a molecular weight of 797.18 g/mol. Its IUPAC name is trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane
• PubChem CID: 174080499
• Molecular Formula: C53H60N4OSi+2
• Molecular Weight: 797.18 g/mol
• Exact Mass: 796.45
• IUPAC Name: trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane
• SMILES: C=C/C(=C(\CC)[n+]1c2n(c3ccc(C)nc31)C(=C)CC1C(CCc3ccc4c(oc5ccccc54)c3-2)c2ccccc2-c2cc(CC(C)C)c([Si](C)(C)C)c[n+]21)C(C)C
• InChI: InChI=1S/C53H60N4OSi/c1-12-38(33(5)6)44(13-2)57-52-45(27-22-34(7)54-52)56-35(8)29-46-41(25-23-36-24-26-43-42-20-16-17-21-48(42)58-51(43)50(36)53(56)57)39-18-14-15-19-40(39)47-30-37(28-32(3)4)49(31-55(46)47)59(9,10)11/h12,14-22,24,26-27,30-33,41,46H,1,8,13,23,25,28-29H2,2-7,9-11H3/q+2/b44-38-
• InChIKey: KYHPMNKLGHXBRC-XUMWXMTGSA-N
• XLogP: 12.51
• TPSA: 38.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.18
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane?

The IUPAC name of trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane (CID 174080499) is trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane.

What is the SMILES notation for trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane?

The canonical SMILES for trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane is C=C/C(=C(\CC)[n+]1c2n(c3ccc(C)nc31)C(=C)CC1C(CCc3ccc4c(oc5ccccc54)c3-2)c2ccccc2-c2cc(CC(C)C)c([Si](C)(C)C)c[n+]21)C(C)C.

What is the InChIKey of trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane?

The InChIKey is KYHPMNKLGHXBRC-XUMWXMTGSA-N. The full InChI is InChI=1S/C53H60N4OSi/c1-12-38(33(5)6)44(13-2)57-52-45(27-22-34(7)54-52)56-35(8)29-46-41(25-23-36-24-26-43-42-20-16-17-21-48(42)58-51(43)50(36)53(56)57)39-18-14-15-19-40(39)47-30-37(28-32(3)4)49(31-55(46)47)59(9,10)11/h12,14-22,24,26-27,30-33,41,46H,1,8,13,23,25,28-29H2,2-7,9-11H3/q+2/b44-38-.

What are the key properties of trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane?

trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane has a molecular weight of 797.18 g/mol, XLogP of 12.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[8-methyl-3-methylidene-37-(2-methylpropyl)-11-[(3E)-4-propan-2-ylhexa-3,5-dien-3-yl]-15-oxa-4,9-diaza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5(10),6,8,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]silane is sourced from PubChem (CID 174080499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).