4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane

C154H166O23P6S — CID 159810971

About 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane

4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane (PubChem CID 159810971) has the molecular formula C154H166O23P6S and a molecular weight of 2602.91 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane.

Molecular Properties

• Compound Name: 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane
• PubChem CID: 159810971
• Molecular Formula: C154H166O23P6S
• Molecular Weight: 2602.91 g/mol
• Exact Mass: 2601.00
• IUPAC Name: 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane
• SMILES: CC1(C)c2cccc(P(Oc3ccccc3)Oc3ccccc3)c2Oc2c(P(Oc3ccccc3)Oc3ccccc3)cccc21.CCC.CCC.COc1cc(C)c2op(-c3cccc4c3Oc3c(-p5oc6c(C(C)(C)C)cc(OC)cc6c6cc(OC)cc(C(C)(C)C)c6o5)cccc3C4(C)C)oc3c(C(C)(C)C)cc(OC)cc3c2c1.COc1cc(C)c2op(-c3cccc4c3Oc3c(cccc3-p3oc5c(C(C)(C)C)cc(OC)cc5c5cc(OC)cc(C(C)(C)C)c5o3)S4)oc3c(C(C)(C)C)cc(OC)cc3c2c1
• InChI: InChI=1S/C56H62O9P2.C53H56O9P2S.C39H32O5P2.2C3H8/c1-31-23-32(57-13)24-36-37-25-33(58-14)28-42(53(2,3)4)48(37)63-66(62-47(31)36)45-21-17-19-40-51(45)61-52-41(56(40,11)12)20-18-22-46(52)67-64-49-38(26-34(59-15)29-43(49)54(5,6)7)39-27-35(60-16)30-44(50(39)65-67)55(8,9)10;1-29-21-30(54-11)22-34-35-23-31(55-12)26-38(51(2,3)4)46(35)60-63(59-45(29)34)41-17-15-19-43-49(41)58-50-42(18-16-20-44(50)65-43)64-61-47-36(24-32(56-13)27-39(47)52(5,6)7)37-25-33(57-14)28-40(48(37)62-64)53(8,9)10;1-39(2)33-25-15-27-35(45(41-29-17-7-3-8-18-29)42-30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)46(43-31-21-11-5-12-22-31)44-32-23-13-6-14-24-32;2*1-3-2/h17-30H,1-16H3;15-28H,1-14H3;3-28H,1-2H3;2*3H2,1-2H3
• InChIKey: NLABBAQXERCMEU-UHFFFAOYSA-N
• XLogP: 48.04
• TPSA: 243.57 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2602.91
LogP ≤ 5	48.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane?

The IUPAC name of 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane (CID 159810971) is 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane.

What is the SMILES notation for 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane?

The canonical SMILES for 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane is CC1(C)c2cccc(P(Oc3ccccc3)Oc3ccccc3)c2Oc2c(P(Oc3ccccc3)Oc3ccccc3)cccc21.CCC.CCC.COc1cc(C)c2op(-c3cccc4c3Oc3c(-p5oc6c(C(C)(C)C)cc(OC)cc6c6cc(OC)cc(C(C)(C)C)c6o5)cccc3C4(C)C)oc3c(C(C)(C)C)cc(OC)cc3c2c1.COc1cc(C)c2op(-c3cccc4c3Oc3c(cccc3-p3oc5c(C(C)(C)C)cc(OC)cc5c5cc(OC)cc(C(C)(C)C)c5o3)S4)oc3c(C(C)(C)C)cc(OC)cc3c2c1.

What is the InChIKey of 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane?

The InChIKey is NLABBAQXERCMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H62O9P2.C53H56O9P2S.C39H32O5P2.2C3H8/c1-31-23-32(57-13)24-36-37-25-33(58-14)28-42(53(2,3)4)48(37)63-66(62-47(31)36)45-21-17-19-40-51(45)61-52-41(56(40,11)12)20-18-22-46(52)67-64-49-38(26-34(59-15)29-43(49)54(5,6)7)39-27-35(60-16)30-44(50(39)65-67)55(8,9)10;1-29-21-30(54-11)22-34-35-23-31(55-12)26-38(51(2,3)4)46(35)60-63(59-45(29)34)41-17-15-19-43-49(41)58-50-42(18-16-20-44(50)65-43)64-61-47-36(24-32(56-13)27-39(47)52(5,6)7)37-25-33(57-14)28-40(48(37)62-64)53(8,9)10;1-39(2)33-25-15-27-35(45(41-29-17-7-3-8-18-29)42-30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)46(43-31-21-11-5-12-22-31)44-32-23-13-6-14-24-32;2*1-3-2/h17-30H,1-16H3;15-28H,1-14H3;3-28H,1-2H3;2*3H2,1-2H3.

What are the key properties of 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane?

4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane has a molecular weight of 2602.91 g/mol, XLogP of 48.04, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane is sourced from PubChem (CID 159810971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).