8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene

C61H71N3O2Si — CID 140849327

About 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene

8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene (PubChem CID 140849327) has the molecular formula C61H71N3O2Si and a molecular weight of 906.34 g/mol. Its IUPAC name is 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene.

Molecular Properties

• Compound Name: 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
• PubChem CID: 140849327
• Molecular Formula: C61H71N3O2Si
• Molecular Weight: 906.34 g/mol
• Exact Mass: 905.53
• IUPAC Name: 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
• SMILES: CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)c4c5c3[Si]3(C)c6c(cc(C(C)(C)C)cc6N6c7ccc(C(C)(C)C)cc7Oc7c(C(C)(C)C)cc2c3c76)N5c2ccc(C(C)(C)C)cc2O4)cc1
• InChI: InChI=1S/C61H71N3O2Si/c1-56(2,3)34-20-24-38(25-21-34)62-45-32-39(60(13,14)15)51-49-54(45)67(19)53-43(63(49)41-26-22-35(57(4,5)6)30-47(41)65-51)28-37(59(10,11)12)29-44(53)64-42-27-23-36(58(7,8)9)31-48(42)66-52-40(61(16,17)18)33-46(62)55(67)50(52)64/h20-33H,1-19H3
• InChIKey: OSIXVMAKCIQZJI-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 28.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.34
LogP ≤ 5	16.13
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 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

The IUPAC name of 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene (CID 140849327) is 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene.

What is the SMILES notation for 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

The canonical SMILES for 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene is CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)c4c5c3[Si]3(C)c6c(cc(C(C)(C)C)cc6N6c7ccc(C(C)(C)C)cc7Oc7c(C(C)(C)C)cc2c3c76)N5c2ccc(C(C)(C)C)cc2O4)cc1.

What is the InChIKey of 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

The InChIKey is OSIXVMAKCIQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H71N3O2Si/c1-56(2,3)34-20-24-38(25-21-34)62-45-32-39(60(13,14)15)51-49-54(45)67(19)53-43(63(49)41-26-22-35(57(4,5)6)30-47(41)65-51)28-37(59(10,11)12)29-44(53)64-42-27-23-36(58(7,8)9)31-48(42)66-52-40(61(16,17)18)33-46(62)55(67)50(52)64/h20-33H,1-19H3.

What are the key properties of 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene has a molecular weight of 906.34 g/mol, XLogP of 16.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene is sourced from PubChem (CID 140849327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).