About trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene
trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene (PubChem CID 158476154) has the molecular formula C136H57Cl31N24O5Zn3
and a molecular weight of 3402.33 g/mol. Its IUPAC name is trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene.
Frequently Asked Questions
What is the IUPAC name of trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene?
The IUPAC name of trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene (CID 158476154) is trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene.
What is the SMILES notation for trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene?
The canonical SMILES for trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene is CC(C)(C)c1ccccc1Oc1c(Cl)c(Cl)c2c(c1Cl)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c(Cl)c(Cl)c(Cl)c41)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3)c1ccccc21.Cc1cccc(C)c1Oc1c(Cl)c(Cl)c2c(c1Cl)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c(Oc5c(C)cccc5C)c(Cl)c(Cl)c41)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3)c1ccccc21.Cc1ccccc1Oc1c(Cl)c(Cl)c2c(c1Cl)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c(Oc5ccccc5C)c(Cl)c(Cl)c41)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3)c1ccccc21.[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene?
The InChIKey is HGYOVHWPQBTSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H22Cl10N8O2.C46H18Cl10N8O2.C42H17Cl11N8O.3Zn/c1-15-9-7-10-16(2)37(15)67-39-31(53)25-23(29(51)35(39)57)44-61-42-20-14-6-5-13-19(20)41(59-42)60-43-21-22(28(50)34(56)33(55)27(21)49)45(62-43)64-46-24-26(48(65-46)66-47(25)63-44)32(54)40(36(58)30(24)52)68-38-17(3)11-8-12-18(38)4;1-15-9-3-7-13-19(15)65-37-31(51)25-23(29(49)35(37)55)42-59-40-18-12-6-5-11-17(18)39(57-40)58-41-21-22(28(48)34(54)33(53)27(21)47)43(60-41)62-44-24-26(46(63-44)64-45(25)61-42)32(52)38(36(56)30(24)50)66-20-14-8-4-10-16(20)2;1-42(2,3)14-10-6-7-11-15(14)62-33-27(48)21-20(26(47)32(33)53)37-56-35-13-9-5-4-8-12(13)34(54-35)55-36-16-17(23(44)29(50)28(49)22(16)43)38(57-36)59-39-18-19(40(60-39)61-41(21)58-37)25(46)31(52)30(51)24(18)45;;;/h5-14H,1-4H3;3-14H,1-2H3;4-11H,1-3H3;;;/q3*-2;3*+2.
What are the key properties of trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene?
trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 3402.33 g/mol, XLogP of 50.74, 10 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;15-(2-tert-butylphenoxy)-5,6,7,8,14,16,17,32,33,34,35-undecachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2,6-dimethylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene;5,6,8,14,16,17,32,33,34,35-decachloro-7,15-bis(2-methylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 158476154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).