10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene

C37H27NO3SSi — CID 58340068

About 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene

10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene (PubChem CID 58340068) has the molecular formula C37H27NO3SSi and a molecular weight of 593.78 g/mol. Its IUPAC name is 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene.

Molecular Properties

• Compound Name: 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene
• PubChem CID: 58340068
• Molecular Formula: C37H27NO3SSi
• Molecular Weight: 593.78 g/mol
• Exact Mass: 593.15
• IUPAC Name: 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene
• SMILES: Cc1ccc(-n2c3c4ccc(C)cc4oc3c3oc4cc5c6c(oc5cc4c32)-c2sc3cc(C)ccc3c2[Si]6(C)C)cc1
• InChI: InChI=1S/C37H27NO3SSi/c1-18-6-10-21(11-7-18)38-30-22-12-8-19(2)14-26(22)39-32(30)33-31(38)24-16-28-25(17-27(24)40-33)36-34(41-28)35-37(43(36,4)5)23-13-9-20(3)15-29(23)42-35/h6-17H,1-5H3
• InChIKey: PFPRPAWVEIKFSW-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.78
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

The IUPAC name of 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene (CID 58340068) is 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene.

What is the SMILES notation for 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

The canonical SMILES for 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene is Cc1ccc(-n2c3c4ccc(C)cc4oc3c3oc4cc5c6c(oc5cc4c32)-c2sc3cc(C)ccc3c2[Si]6(C)C)cc1.

What is the InChIKey of 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

The InChIKey is PFPRPAWVEIKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO3SSi/c1-18-6-10-21(11-7-18)38-30-22-12-8-19(2)14-26(22)39-32(30)33-31(38)24-16-28-25(17-27(24)40-33)36-34(41-28)35-37(43(36,4)5)23-13-9-20(3)15-29(23)42-35/h6-17H,1-5H3.

What are the key properties of 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene has a molecular weight of 593.78 g/mol, XLogP of 9.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10,21,21,26-tetramethyl-5-(4-methylphenyl)-13,16,32-trioxa-29-thia-5-aza-21-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene is sourced from PubChem (CID 58340068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).