About 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene
10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene (PubChem CID 159288990) has the molecular formula C174H114N6O12P6S6
and a molecular weight of 2859.10 g/mol. Its IUPAC name is 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene.
Frequently Asked Questions
What is the IUPAC name of 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene?
The IUPAC name of 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene (CID 159288990) is 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene.
What is the SMILES notation for 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene?
The canonical SMILES for 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene is CC(C)(C)c1ccc(N2c3cccc4c3P3(=S)c5c(cc(C(C)(C)C)cc5Oc5cc6c7c8c(cc6c2c53)Oc2cc(C(C)(C)C)cc3c2P8(=S)c2c(cccc2N7c2ccc(C(C)(C)C)cc2)O3)O4)cc1.S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1c5c6c(cc31)Oc1c3c(cc7ccccc17)Oc1c(c(cc7ccccc17)N5c1ccccc1)P36=S)Oc1c2c(cc2ccccc12)O4.S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1c5c6c(cc31)Oc1cc3ccccc3c3c1P6(=S)c1c(cccc1N5c1ccccc1)O3)Oc1cc3ccccc3c(c12)O4.
What is the InChIKey of 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene?
The InChIKey is KZWHCLVAMOPGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O4P2S2.C58H30N2O4P2S2.C54H28N2O4P2S2/c1-59(2,3)33-19-23-37(24-20-33)63-41-15-13-17-43-53(41)69(71)55-45(65-43)27-35(61(7,8)9)29-47(55)67-49-32-40-39(51(63)57(49)69)31-50-58-52(40)64(38-25-21-34(22-26-38)60(4,5)6)42-16-14-18-44-54(42)70(58,72)56-46(66-44)28-36(62(10,11)12)30-48(56)68-50;67-65-53-41-24-13-25-43(53)61-44-27-32-15-8-11-22-37(32)51(57(44)65)63-46-30-40-39(48(55(46)65)59(41)34-17-3-1-4-18-34)29-47-56-49(40)60(35-19-5-2-6-20-35)42-26-31-14-7-10-21-36(31)50-54(42)66(56,68)58-45(62-50)28-33-16-9-12-23-38(33)52(58)64-47;63-61-49-37-21-11-23-39(49)59-47-33-19-9-7-13-29(33)25-41(53(47)61)57-43-28-36-35(45(51(43)61)55(37)31-15-3-1-4-16-31)27-44-52-46(36)56(32-17-5-2-6-18-32)38-22-12-24-40-50(38)62(52,64)54-42(58-44)26-30-14-8-10-20-34(30)48(54)60-40/h13-32H,1-12H3;1-30H;1-28H.
What are the key properties of 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene?
10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene has a molecular weight of 2859.10 g/mol, XLogP of 41.98, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 10,27-ditert-butyl-19,38-bis(4-tert-butylphenyl)-6,31-bis(sulfanylidene)-13,24,40,42-tetraoxa-19,38-diaza-6λ5,31λ5-diphosphadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14,16,18(41),20,22,25,27,29,32(37),33,35-heptadecaene;23,50-diphenyl-6,39-bis(sulfanylidene)-17,28,52,54-tetraoxa-23,50-diaza-6λ5,39λ5-diphosphapentadecacyclo[25.23.1.14,8.16,18.137,41.02,25.05,24.07,16.09,14.029,38.030,35.039,51.040,49.042,47.022,53]tetrapentaconta-1,3,5(24),7,9,11,13,15,18,20,22(53),25,27(51),29(38),30,32,34,36,40,42,44,46,48-tricosaene;23,46-diphenyl-6,39-bis(sulfanylidene)-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene is sourced from PubChem (CID 159288990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).