[4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane

C39H27NO2Si — CID 140863260

About [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane

[4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane (PubChem CID 140863260) has the molecular formula C39H27NO2Si and a molecular weight of 569.74 g/mol. Its IUPAC name is [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane
• PubChem CID: 140863260
• Molecular Formula: C39H27NO2Si
• Molecular Weight: 569.74 g/mol
• Exact Mass: 569.18
• IUPAC Name: [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2cc3c4ccc5c6ccccc6oc5c4n4c3c(c2)c2ccc3c5ccccc5oc3c24)cc1
• InChI: InChI=1S/C39H27NO2Si/c1-43(2,3)24-14-12-22(13-15-24)23-20-31-27-16-18-29-25-8-4-6-10-33(25)41-38(29)36(27)40-35(31)32(21-23)28-17-19-30-26-9-5-7-11-34(26)42-39(30)37(28)40/h4-21H,1-3H3
• InChIKey: SGIPKMKVWVGWET-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 30.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.74
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane?

The IUPAC name of [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane (CID 140863260) is [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane.

What is the SMILES notation for [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane?

The canonical SMILES for [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cc3c4ccc5c6ccccc6oc5c4n4c3c(c2)c2ccc3c5ccccc5oc3c24)cc1.

What is the InChIKey of [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane?

The InChIKey is SGIPKMKVWVGWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2Si/c1-43(2,3)24-14-12-22(13-15-24)23-20-31-27-16-18-29-25-8-4-6-10-33(25)41-38(29)36(27)40-35(31)32(21-23)28-17-19-30-26-9-5-7-11-34(26)42-39(30)37(28)40/h4-21H,1-3H3.

What are the key properties of [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane?

[4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane has a molecular weight of 569.74 g/mol, XLogP of 10.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane is sourced from PubChem (CID 140863260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).