3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine

C178H172N4O32P8 — CID 159524795

About 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine

3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine (PubChem CID 159524795) has the molecular formula C178H172N4O32P8 and a molecular weight of 3127.12 g/mol. Its IUPAC name is 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine.

Molecular Properties

• Compound Name: 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine
• PubChem CID: 159524795
• Molecular Formula: C178H172N4O32P8
• Molecular Weight: 3127.12 g/mol
• Exact Mass: 3124.99
• IUPAC Name: 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine
• SMILES: Cc1cc(C)c2c(c1)C(C)c1cc(C)cc(C)c1OP(OCc1ncccc1OP1Oc3c(C)cc(C)cc3C(C)c3cc(C)cc(C)c3O1)O2.Cc1ccc(C(C)C)c(OP(OCc2ncccc2OP(Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)c1.c1cnc(COP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)c(OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)c1.c1cnc(COp2oc3c(C4OCCO4)cccc3c3cccc(C4OCCO4)c3o2)c(Op2oc3c(C4OCCO4)cccc3c3cccc(C4OCCO4)c3o2)c1
• InChI: InChI=1S/C48H33NO6P2.C46H57NO6P2.C42H37NO14P2.C42H45NO6P2/c1-5-14-35-31(10-1)19-23-44-39(35)28-40-36-15-6-2-11-32(36)20-24-45(40)52-56(51-44)50-30-43-48(18-9-27-49-43)55-57-53-46-25-21-33-12-3-7-16-37(33)41(46)29-42-38-17-8-4-13-34(38)22-26-47(42)54-57;1-29(2)37-19-15-33(9)24-43(37)50-54(51-44-25-34(10)16-20-38(44)30(3)4)48-28-41-42(14-13-23-47-41)49-55(52-45-26-35(11)17-21-39(45)31(5)6)53-46-27-36(12)18-22-40(46)32(7)8;1-6-25-26-7-2-11-30(40-46-18-19-47-40)36(26)55-58(54-35(25)29(10-1)39-44-16-17-45-39)52-24-33-34(14-5-15-43-33)53-59-56-37-27(8-3-12-31(37)41-48-20-21-49-41)28-9-4-13-32(38(28)57-59)42-50-22-23-51-42;1-23-14-27(5)39-33(18-23)31(9)34-19-24(2)15-28(6)40(34)47-50(46-39)44-22-37-38(12-11-13-43-37)45-51-48-41-29(7)16-25(3)20-35(41)32(10)36-21-26(4)17-30(8)42(36)49-51/h1-27H,28-30H2;13-27,29-32H,28H2,1-12H3;1-15,39-42H,16-24H2;11-21,31-32H,22H2,1-10H3
• InChIKey: MCGDLRBKFMNCBF-UHFFFAOYSA-N
• XLogP: 49.73
• TPSA: 362.56 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3127.12
LogP ≤ 5	49.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine?

The IUPAC name of 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine (CID 159524795) is 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine.

What is the SMILES notation for 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine?

The canonical SMILES for 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine is Cc1cc(C)c2c(c1)C(C)c1cc(C)cc(C)c1OP(OCc1ncccc1OP1Oc3c(C)cc(C)cc3C(C)c3cc(C)cc(C)c3O1)O2.Cc1ccc(C(C)C)c(OP(OCc2ncccc2OP(Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)c1.c1cnc(COP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)c(OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)c1.c1cnc(COp2oc3c(C4OCCO4)cccc3c3cccc(C4OCCO4)c3o2)c(Op2oc3c(C4OCCO4)cccc3c3cccc(C4OCCO4)c3o2)c1.

What is the InChIKey of 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine?

The InChIKey is MCGDLRBKFMNCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO6P2.C46H57NO6P2.C42H37NO14P2.C42H45NO6P2/c1-5-14-35-31(10-1)19-23-44-39(35)28-40-36-15-6-2-11-32(36)20-24-45(40)52-56(51-44)50-30-43-48(18-9-27-49-43)55-57-53-46-25-21-33-12-3-7-16-37(33)41(46)29-42-38-17-8-4-13-34(38)22-26-47(42)54-57;1-29(2)37-19-15-33(9)24-43(37)50-54(51-44-25-34(10)16-20-38(44)30(3)4)48-28-41-42(14-13-23-47-41)49-55(52-45-26-35(11)17-21-39(45)31(5)6)53-46-27-36(12)18-22-40(46)32(7)8;1-6-25-26-7-2-11-30(40-46-18-19-47-40)36(26)55-58(54-35(25)29(10-1)39-44-16-17-45-39)52-24-33-34(14-5-15-43-33)53-59-56-37-27(8-3-12-31(37)41-48-20-21-49-41)28-9-4-13-32(38(28)57-59)42-50-22-23-51-42;1-23-14-27(5)39-33(18-23)31(9)34-19-24(2)15-28(6)40(34)47-50(46-39)44-22-37-38(12-11-13-43-37)45-51-48-41-29(7)16-25(3)20-35(41)32(10)36-21-26(4)17-30(8)42(36)49-51/h1-27H,28-30H2;13-27,29-32H,28H2,1-12H3;1-15,39-42H,16-24H2;11-21,31-32H,22H2,1-10H3.

What are the key properties of 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine?

3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine has a molecular weight of 3127.12 g/mol, XLogP of 49.73, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine is sourced from PubChem (CID 159524795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).