8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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

C58H54N3O3PS — CID 134317448

About 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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 134317448) has the molecular formula C58H54N3O3PS and a molecular weight of 904.13 g/mol. Its IUPAC name is 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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: 134317448
• Molecular Formula: C58H54N3O3PS
• Molecular Weight: 904.13 g/mol
• Exact Mass: 903.36
• IUPAC Name: 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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)c1ccc2c(c1)Oc1c(C(C)(C)C)cc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1P4(=S)c1c(cc(C(C)(C)C)c4c1N2c1ccc(C(C)(C)C)cc1O4)O3
• InChI: InChI=1S/C58H54N3O3PS/c1-55(2,3)31-21-23-40-44(25-31)63-50-36(57(7,8)9)29-46-53-48(50)60(40)42-27-33(59-38-19-15-13-17-34(38)35-18-14-16-20-39(35)59)28-43-52(42)65(53,66)54-47(62-46)30-37(58(10,11)12)51-49(54)61(43)41-24-22-32(56(4,5)6)26-45(41)64-51/h13-30H,1-12H3
• InChIKey: IZYDULKFAFWFKV-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 39.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.13
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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 134317448) is 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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)c1ccc2c(c1)Oc1c(C(C)(C)C)cc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1P4(=S)c1c(cc(C(C)(C)C)c4c1N2c1ccc(C(C)(C)C)cc1O4)O3.

What is the InChIKey of 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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 IZYDULKFAFWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N3O3PS/c1-55(2,3)31-21-23-40-44(25-31)63-50-36(57(7,8)9)29-46-53-48(50)60(40)42-27-33(59-38-19-15-13-17-34(38)35-18-14-16-20-39(35)59)28-43-52(42)65(53,66)54-47(62-46)30-37(58(10,11)12)51-49(54)61(43)41-24-22-32(56(4,5)6)26-45(41)64-51/h13-30H,1-12H3.

What are the key properties of 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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 904.13 g/mol, XLogP of 15.61, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,19,24-tetratert-butyl-31-carbazol-9-yl-1-sulfanylidene-11,16,21-trioxa-4,28-diaza-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 134317448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).