8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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

C60H68N3O2PS — CID 134317276

About 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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 134317276) has the molecular formula C60H68N3O2PS and a molecular weight of 926.26 g/mol. Its IUPAC name is 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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: 134317276
• Molecular Formula: C60H68N3O2PS
• Molecular Weight: 926.26 g/mol
• Exact Mass: 925.48
• IUPAC Name: 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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)c4c5c3P3(=S)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/C60H68N3O2PS/c1-55(2,3)33-19-23-37(24-20-33)61-44-31-38(59(13,14)15)50-48-53(44)66(67)52-42(62(48)40-25-21-34(56(4,5)6)29-46(40)64-50)27-36(58(10,11)12)28-43(52)63-41-26-22-35(57(7,8)9)30-47(41)65-51-39(60(16,17)18)32-45(61)54(66)49(51)63/h19-32H,1-18H3
• InChIKey: KVLUJSUEKWKUGH-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 28.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.26
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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 134317276) is 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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)c4c5c3P3(=S)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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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 KVLUJSUEKWKUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68N3O2PS/c1-55(2,3)33-19-23-37(24-20-33)61-44-31-38(59(13,14)15)50-48-53(44)66(67)52-42(62(48)40-25-21-34(56(4,5)6)29-46(40)64-50)27-36(58(10,11)12)28-43(52)63-41-26-22-35(57(7,8)9)30-47(41)65-51-39(60(16,17)18)32-45(61)54(66)49(51)63/h19-32H,1-18H3.

What are the key properties of 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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 926.26 g/mol, XLogP of 16.79, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[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 134317276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).