[14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane

C65H57N3OSi+2 — CID 174073863

About [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane

[14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane (PubChem CID 174073863) has the molecular formula C65H57N3OSi+2 and a molecular weight of 924.28 g/mol. Its IUPAC name is [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane
• PubChem CID: 174073863
• Molecular Formula: C65H57N3OSi+2
• Molecular Weight: 924.28 g/mol
• Exact Mass: 923.43
• IUPAC Name: [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane
• SMILES: C=C1C2C(CCc3cc4oc5ccccc5c4cc3-c3n(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccc5ccccc5c4[n+]31)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C65H57N3OSi/c1-41(2)35-48-37-59-51-26-16-15-25-50(51)53-32-29-47-38-61-56(52-27-17-18-28-60(52)69-61)39-55(47)65-67(42(3)63(53)66(59)40-62(48)70(4,5)6)64-49-24-14-13-23-45(49)30-34-58(64)68(65)57-33-31-46(43-19-9-7-10-20-43)36-54(57)44-21-11-8-12-22-44/h7-28,30-31,33-34,36-41,53,63H,3,29,32,35H2,1-2,4-6H3/q+2
• InChIKey: ACSHMDWJSVQAIG-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.28
LogP ≤ 5	15.43
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 [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane?

The IUPAC name of [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane (CID 174073863) is [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane.

What is the SMILES notation for [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane?

The canonical SMILES for [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane is C=C1C2C(CCc3cc4oc5ccccc5c4cc3-c3n(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccc5ccccc5c4[n+]31)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane?

The InChIKey is ACSHMDWJSVQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57N3OSi/c1-41(2)35-48-37-59-51-26-16-15-25-50(51)53-32-29-47-38-61-56(52-27-17-18-28-60(52)69-61)39-55(47)65-67(42(3)63(53)66(59)40-62(48)70(4,5)6)64-49-24-14-13-23-45(49)30-34-58(64)68(65)57-33-31-46(43-19-9-7-10-20-43)36-54(57)44-21-11-8-12-22-44/h7-28,30-31,33-34,36-41,53,63H,3,29,32,35H2,1-2,4-6H3/q+2.

What are the key properties of [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane?

[14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane has a molecular weight of 924.28 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [14-(2,4-diphenylphenyl)-2-methylidene-40-(2-methylpropyl)-25-oxa-14-aza-3,43-diazoniadecacyclo[29.12.0.03,15.04,13.05,10.016,28.018,26.019,24.032,37.038,43]tritetraconta-3(15),4(13),5,7,9,11,16,18(26),19,21,23,27,32,34,36,38(43),39,41-octadecaen-41-yl]-trimethylsilane is sourced from PubChem (CID 174073863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).