[37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

C52H51N3OSi+2 — CID 174079844

About [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

[37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (PubChem CID 174079844) has the molecular formula C52H51N3OSi+2 and a molecular weight of 762.09 g/mol. Its IUPAC name is [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• PubChem CID: 174079844
• Molecular Formula: C52H51N3OSi+2
• Molecular Weight: 762.09 g/mol
• Exact Mass: 761.38
• IUPAC Name: [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• SMILES: C=C1CC2C(CCc3cc4c(cc3-c3n1c1ccccc1[n+]3-c1ccccc1)oc1ccccc14)c1ccccc1-c1cc(CC3CCCC3)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C52H51N3OSi/c1-34-28-47-41(39-20-10-11-21-40(39)48-31-37(29-35-16-8-9-17-35)51(33-53(47)48)57(2,3)4)27-26-36-30-44-42-22-12-15-25-49(42)56-50(44)32-43(36)52-54(34)45-23-13-14-24-46(45)55(52)38-18-6-5-7-19-38/h5-7,10-15,18-25,30-33,35,41,47H,1,8-9,16-17,26-29H2,2-4H3/q+2
• InChIKey: PUZXMQGZSMUCPR-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.09
LogP ≤ 5	11.86
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 [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The IUPAC name of [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (CID 174079844) is [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

What is the SMILES notation for [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The canonical SMILES for [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is C=C1CC2C(CCc3cc4c(cc3-c3n1c1ccccc1[n+]3-c1ccccc1)oc1ccccc14)c1ccccc1-c1cc(CC3CCCC3)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The InChIKey is PUZXMQGZSMUCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N3OSi/c1-34-28-47-41(39-20-10-11-21-40(39)48-31-37(29-35-16-8-9-17-35)51(33-53(47)48)57(2,3)4)27-26-36-30-44-42-22-12-15-25-49(42)56-50(44)32-43(36)52-54(34)45-23-13-14-24-46(45)55(52)38-18-6-5-7-19-38/h5-7,10-15,18-25,30-33,35,41,47H,1,8-9,16-17,26-29H2,2-4H3/q+2.

What are the key properties of [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

[37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane has a molecular weight of 762.09 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [37-(cyclopentylmethyl)-3-methylidene-11-phenyl-16-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.017,22.029,34.035,40]tetraconta-5,7,9,11,13,15(23),17,19,21,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is sourced from PubChem (CID 174079844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).