[11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

C64H53N3OSi+2 — CID 174080654

About [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

[11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (PubChem CID 174080654) has the molecular formula C64H53N3OSi+2 and a molecular weight of 908.23 g/mol. Its IUPAC name is [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• PubChem CID: 174080654
• Molecular Formula: C64H53N3OSi+2
• Molecular Weight: 908.23 g/mol
• Exact Mass: 907.39
• IUPAC Name: [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• SMILES: C=C1CC2C(CCc3ccc4c(oc5ccc(-c6ccccc6)cc54)c3-c3n(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C64H53N3OSi/c1-42-39-59-53(51-25-14-15-26-52(51)56-37-34-48(41-65(56)59)69(2,3)4)35-31-46-32-36-54-55-40-47(43-19-8-5-9-20-43)33-38-60(55)68-63(54)61(46)64-66(42)57-29-16-17-30-58(57)67(64)62-49(44-21-10-6-11-22-44)27-18-28-50(62)45-23-12-7-13-24-45/h5-30,32-34,36-38,40-41,53,59H,1,31,35,39H2,2-4H3/q+2
• InChIKey: RDEYBZNWBYFSRS-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.23
LogP ≤ 5	15.13
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 [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The IUPAC name of [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (CID 174080654) is [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

What is the SMILES notation for [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The canonical SMILES for [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is C=C1CC2C(CCc3ccc4c(oc5ccc(-c6ccccc6)cc54)c3-c3n(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12.

What is the InChIKey of [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The InChIKey is RDEYBZNWBYFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H53N3OSi/c1-42-39-59-53(51-25-14-15-26-52(51)56-37-34-48(41-65(56)59)69(2,3)4)35-31-46-32-36-54-55-40-47(43-19-8-5-9-20-43)33-38-60(55)68-63(54)61(46)64-66(42)57-29-16-17-30-58(57)67(64)62-49(44-21-10-6-11-22-44)27-18-28-50(62)45-23-12-7-13-24-45/h5-30,32-34,36-38,40-41,53,59H,1,31,35,39H2,2-4H3/q+2.

What are the key properties of [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

[11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane has a molecular weight of 908.23 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [11-(2,6-diphenylphenyl)-3-methylidene-19-phenyl-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is sourced from PubChem (CID 174080654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).