6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C163H136O22P6 — CID 162056917

About 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 162056917) has the molecular formula C163H136O22P6 and a molecular weight of 2632.70 g/mol. Its IUPAC name is 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

• Compound Name: 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• PubChem CID: 162056917
• Molecular Formula: C163H136O22P6
• Molecular Weight: 2632.70 g/mol
• Exact Mass: 2630.79
• IUPAC Name: 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• SMILES: COc1cc(C)c2op(-c3c(-c4ccccc4)ccc4c3-c3c(ccc(-c5ccccc5)c3-p3oc5c(C)cc(OC)cc5c5cc(OC)cc(C)c5o3)OCO4)oc3c(C)cc(OC)cc3c2c1.Cc1cc(C)c2op(-c3c(C)ccc4c3-c3c(ccc(C)c3-p3oc5c(C)cc(C)cc5c5cc(C)cc(C)c5o3)OCCO4)oc3c(C)cc(C)cc3c2c1.Cc1ccc2c(c1-p1oc3ccc4ccccc4c3c3c(ccc4ccccc43)o1)-c1c(ccc(C)c1-p1oc3ccc4ccccc4c3c3c(ccc4ccccc43)o1)OCCCCO2
• InChI: InChI=1S/C58H42O6P2.C57H48O10P2.C48H46O6P2/c1-35-21-27-45-55(57(35)65-61-47-29-23-37-13-3-7-17-41(37)51(47)52-42-18-8-4-14-38(42)24-30-48(52)62-65)56-46(60-34-12-11-33-59-45)28-22-36(2)58(56)66-63-49-31-25-39-15-5-9-19-43(39)53(49)54-44-20-10-6-16-40(44)26-32-50(54)64-66;1-32-23-38(58-5)27-44-45-28-39(59-6)24-33(2)53(45)65-68(64-52(32)44)56-42(36-15-11-9-12-16-36)19-21-48-50(56)51-49(63-31-62-48)22-20-43(37-17-13-10-14-18-37)57(51)69-66-54-34(3)25-40(60-7)29-46(54)47-30-41(61-8)26-35(4)55(47)67-69;1-25-17-31(7)43-35(21-25)36-22-26(2)18-32(8)44(36)52-55(51-43)47-29(5)11-13-39-41(47)42-40(50-16-15-49-39)14-12-30(6)48(42)56-53-45-33(9)19-27(3)23-37(45)38-24-28(4)20-34(10)46(38)54-56/h3-10,13-32H,11-12,33-34H2,1-2H3;9-30H,31H2,1-8H3;11-14,17-24H,15-16H2,1-10H3
• InChIKey: YZHQUAXTCLFGBD-UHFFFAOYSA-N
• XLogP: 50.58
• TPSA: 249.98 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.70
LogP ≤ 5	50.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

The IUPAC name of 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 162056917) is 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

What is the SMILES notation for 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

The canonical SMILES for 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is COc1cc(C)c2op(-c3c(-c4ccccc4)ccc4c3-c3c(ccc(-c5ccccc5)c3-p3oc5c(C)cc(OC)cc5c5cc(OC)cc(C)c5o3)OCO4)oc3c(C)cc(OC)cc3c2c1.Cc1cc(C)c2op(-c3c(C)ccc4c3-c3c(ccc(C)c3-p3oc5c(C)cc(C)cc5c5cc(C)cc(C)c5o3)OCCO4)oc3c(C)cc(C)cc3c2c1.Cc1ccc2c(c1-p1oc3ccc4ccccc4c3c3c(ccc4ccccc43)o1)-c1c(ccc(C)c1-p1oc3ccc4ccccc4c3c3c(ccc4ccccc43)o1)OCCCCO2.

What is the InChIKey of 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

The InChIKey is YZHQUAXTCLFGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42O6P2.C57H48O10P2.C48H46O6P2/c1-35-21-27-45-55(57(35)65-61-47-29-23-37-13-3-7-17-41(37)51(47)52-42-18-8-4-14-38(42)24-30-48(52)62-65)56-46(60-34-12-11-33-59-45)28-22-36(2)58(56)66-63-49-31-25-39-15-5-9-19-43(39)53(49)54-44-20-10-6-16-40(44)26-32-50(54)64-66;1-32-23-38(58-5)27-44-45-28-39(59-6)24-33(2)53(45)65-68(64-52(32)44)56-42(36-15-11-9-12-16-36)19-21-48-50(56)51-49(63-31-62-48)22-20-43(37-17-13-10-14-18-37)57(51)69-66-54-34(3)25-40(60-7)29-46(54)47-30-41(61-8)26-35(4)55(47)67-69;1-25-17-31(7)43-35(21-25)36-22-26(2)18-32(8)44(36)52-55(51-43)47-29(5)11-13-39-41(47)42-40(50-16-15-49-39)14-12-30(6)48(42)56-53-45-33(9)19-27(3)23-37(45)38-24-28(4)20-34(10)46(38)54-56/h3-10,13-32H,11-12,33-34H2,1-2H3;9-30H,31H2,1-8H3;11-14,17-24H,15-16H2,1-10H3.

What are the key properties of 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 2632.70 g/mol, XLogP of 50.58, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-2,10-diphenylbenzo[d][1,3]benzodioxepin-11-yl]-2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[4,15-dimethyl-16-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;13-[18-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-4,17-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 162056917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).