(18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane

C45H49N3OSi+2 — CID 174080446

About (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane

(18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane (PubChem CID 174080446) has the molecular formula C45H49N3OSi+2 and a molecular weight of 675.99 g/mol. Its IUPAC name is (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane
• PubChem CID: 174080446
• Molecular Formula: C45H49N3OSi+2
• Molecular Weight: 675.99 g/mol
• Exact Mass: 675.36
• IUPAC Name: (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane
• SMILES: C=C1C2C(CCc3cc(C)c4c(oc5nc(C)ccc54)c3-c3c4c(cc[n+]31)CCCC4)c1ccccc1-c1cc(C(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C45H49N3OSi/c1-26(2)37-24-38-34-16-12-11-15-33(34)35-20-18-31-23-27(3)40-36-19-17-28(4)46-45(36)49-44(40)41(31)43-32-14-10-9-13-30(32)21-22-47(43)29(5)42(35)48(38)25-39(37)50(6,7)8/h11-12,15-17,19,21-26,35,42H,5,9-10,13-14,18,20H2,1-4,6-8H3/q+2
• InChIKey: SWPVYCJOCNUYKN-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 33.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.99
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane?

The IUPAC name of (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane (CID 174080446) is (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane.

What is the SMILES notation for (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane?

The canonical SMILES for (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane is C=C1C2C(CCc3cc(C)c4c(oc5nc(C)ccc54)c3-c3c4c(cc[n+]31)CCCC4)c1ccccc1-c1cc(C(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane?

The InChIKey is SWPVYCJOCNUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49N3OSi/c1-26(2)37-24-38-34-16-12-11-15-33(34)35-20-18-31-23-27(3)40-36-19-17-28(4)46-45(36)49-44(40)41(31)43-32-14-10-9-13-30(32)21-22-47(43)29(5)42(35)48(38)25-39(37)50(6,7)8/h11-12,15-17,19,21-26,35,42H,5,9-10,13-14,18,20H2,1-4,6-8H3/q+2.

What are the key properties of (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane?

(18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane has a molecular weight of 675.99 g/mol, XLogP of 9.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (18,23-dimethyl-2-methylidene-37-propan-2-yl-15-oxa-17-aza-3,40-diazonianonacyclo[26.12.0.03,12.06,11.013,25.014,22.016,21.029,34.035,40]tetraconta-3(12),4,6(11),13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl)-trimethylsilane is sourced from PubChem (CID 174080446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).