henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate

C304H304N27Na21O107S35 — CID 159454523

IUPAChenicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate
SMILESCCCCNS(=O)(=O)c1ccccc1-c1c2cc(S(=O)(=O)[O-])/c(=[NH+]/c3c(C)cc(C)c(S(=O)(=O)[O-])c3C)cc-2oc2cc(Nc3c(C)cc(C)c(S(=O)(=O)[O-])c3C)[c-]cc12.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)N(C(C)C)C(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC(C)(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC(C)(C)CC(C)(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC3CCC(Nc4nc(NCCO)nc(NCCO)n4)CC3)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(N)(=O)=O)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C50H56N9O14S4.C47H48N3O12S4.C45H50N3O12S4.C43H46N3O12S4.2C41H42N3O12S4.C37H34N3O12S4.21Na.7O3S/c1-26-21-28(3)46(76(67,68)69)30(5)44(26)53-34-15-16-35-39(23-34)73-40-25-38(55-45-27(2)22-29(4)47(31(45)6)77(70,71)72)42(75(64,65)66)24-37(40)43(35)36-9-7-8-10-41(36)74(62,63)59-33-13-11-32(12-14-33)54-50-57-48(51-17-19-60)56-49(58-50)52-18-20-61;1-24-13-26(3)45(65(56,57)58)28(5)43(24)48-33-11-12-34-38(18-33)62-39-20-37(49-44-25(2)14-27(4)46(29(44)6)66(59,60)61)41(64(53,54)55)19-36(39)42(34)35-9-7-8-10-40(35)63(51,52)50-47-21-30-15-31(22-47)17-32(16-30)23-47;1-24-18-26(3)42(63(54,55)56)28(5)40(24)46-30-16-17-31-35(20-30)60-36-22-34(47-41-25(2)19-27(4)43(29(41)6)64(57,58)59)38(62(51,52)53)21-33(36)39(31)32-14-12-13-15-37(32)61(49,50)48-45(10,11)23-44(7,8)9;1-22(2)46(23(3)4)59(47,48)37-14-12-11-13-32(37)39-31-16-15-30(44-40-24(5)17-26(7)42(28(40)9)61(52,53)54)19-35(31)58-36-21-34(38(20-33(36)39)60(49,50)51)45-41-25(6)18-27(8)43(29(41)10)62(55,56)57;1-21-16-23(3)39(59(50,51)52)25(5)37(21)42-27-14-15-28-32(18-27)56-33-20-31(43-38-22(2)17-24(4)40(26(38)6)60(53,54)55)35(58(47,48)49)19-30(33)36(28)29-12-10-11-13-34(29)57(45,46)44-41(7,8)9;1-8-9-16-42-57(45,46)35-13-11-10-12-30(35)37-29-15-14-28(43-38-22(2)17-24(4)40(26(38)6)59(50,51)52)19-33(29)56-34-21-32(36(20-31(34)37)58(47,48)49)44-39-23(3)18-25(5)41(27(39)7)60(53,54)55;1-18-13-20(3)36(55(46,47)48)22(5)34(18)39-24-11-12-25-29(15-24)52-30-17-28(40-35-19(2)14-21(4)37(23(35)6)56(49,50)51)32(54(43,44)45)16-27(30)33(25)26-9-7-8-10-31(26)53(38,41)42;;;;;;;;;;;;;;;;;;;;;;7*1-4(2)3/h7-10,16,21-25,32-33,53,59-61H,11-14,17-20H2,1-6H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H3,51,52,54,56,57,58);7-10,12-14,18-20,30-32,48,50H,15-17,21-23H2,1-6H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);12-15,17-22,46,48H,23H2,1-11H3,(H,51,52,53)(H,54,55,56)(H,57,58,59);11-14,16-23,44H,1-10H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);10-13,15-20,42,44H,1-9H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);10-13,15,17-21,42-43H,8-9,16H2,1-7H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);7-10,12-17,39H,1-6H3,(H2,38,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;;;;;;;;;;;;;;;;;;;;;;;;/q7*-1;21*+1;;;;;;;/p-14/b55-38+;49-37+;47-34+;45-34+;43-31+;44-32+;40-28+;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyINHHONNHKXMNJR-HFUYSNIRSA-A
MW7652.99 g/mol
LogP-36.53
Rot. Bonds79

About henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate

henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate (PubChem CID 159454523) has the molecular formula C304H304N27Na21O107S35 and a molecular weight of 7652.99 g/mol. Its IUPAC name is henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate.

Molecular Properties

Compound Namehenicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate
PubChem CID159454523
Molecular FormulaC304H304N27Na21O107S35
Molecular Weight7652.99 g/mol
Exact Mass7645.73
IUPAC Namehenicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate
SMILESCCCCNS(=O)(=O)c1ccccc1-c1c2cc(S(=O)(=O)[O-])/c(=[NH+]/c3c(C)cc(C)c(S(=O)(=O)[O-])c3C)cc-2oc2cc(Nc3c(C)cc(C)c(S(=O)(=O)[O-])c3C)[c-]cc12.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)N(C(C)C)C(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC(C)(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC(C)(C)CC(C)(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC3CCC(Nc4nc(NCCO)nc(NCCO)n4)CC3)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(N)(=O)=O)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C50H56N9O14S4.C47H48N3O12S4.C45H50N3O12S4.C43H46N3O12S4.2C41H42N3O12S4.C37H34N3O12S4.21Na.7O3S/c1-26-21-28(3)46(76(67,68)69)30(5)44(26)53-34-15-16-35-39(23-34)73-40-25-38(55-45-27(2)22-29(4)47(31(45)6)77(70,71)72)42(75(64,65)66)24-37(40)43(35)36-9-7-8-10-41(36)74(62,63)59-33-13-11-32(12-14-33)54-50-57-48(51-17-19-60)56-49(58-50)52-18-20-61;1-24-13-26(3)45(65(56,57)58)28(5)43(24)48-33-11-12-34-38(18-33)62-39-20-37(49-44-25(2)14-27(4)46(29(44)6)66(59,60)61)41(64(53,54)55)19-36(39)42(34)35-9-7-8-10-40(35)63(51,52)50-47-21-30-15-31(22-47)17-32(16-30)23-47;1-24-18-26(3)42(63(54,55)56)28(5)40(24)46-30-16-17-31-35(20-30)60-36-22-34(47-41-25(2)19-27(4)43(29(41)6)64(57,58)59)38(62(51,52)53)21-33(36)39(31)32-14-12-13-15-37(32)61(49,50)48-45(10,11)23-44(7,8)9;1-22(2)46(23(3)4)59(47,48)37-14-12-11-13-32(37)39-31-16-15-30(44-40-24(5)17-26(7)42(28(40)9)61(52,53)54)19-35(31)58-36-21-34(38(20-33(36)39)60(49,50)51)45-41-25(6)18-27(8)43(29(41)10)62(55,56)57;1-21-16-23(3)39(59(50,51)52)25(5)37(21)42-27-14-15-28-32(18-27)56-33-20-31(43-38-22(2)17-24(4)40(26(38)6)60(53,54)55)35(58(47,48)49)19-30(33)36(28)29-12-10-11-13-34(29)57(45,46)44-41(7,8)9;1-8-9-16-42-57(45,46)35-13-11-10-12-30(35)37-29-15-14-28(43-38-22(2)17-24(4)40(26(38)6)59(50,51)52)19-33(29)56-34-21-32(36(20-31(34)37)58(47,48)49)44-39-23(3)18-25(5)41(27(39)7)60(53,54)55;1-18-13-20(3)36(55(46,47)48)22(5)34(18)39-24-11-12-25-29(15-24)52-30-17-28(40-35-19(2)14-21(4)37(23(35)6)56(49,50)51)32(54(43,44)45)16-27(30)33(25)26-9-7-8-10-31(26)53(38,41)42;;;;;;;;;;;;;;;;;;;;;;7*1-4(2)3/h7-10,16,21-25,32-33,53,59-61H,11-14,17-20H2,1-6H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H3,51,52,54,56,57,58);7-10,12-14,18-20,30-32,48,50H,15-17,21-23H2,1-6H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);12-15,17-22,46,48H,23H2,1-11H3,(H,51,52,53)(H,54,55,56)(H,57,58,59);11-14,16-23,44H,1-10H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);10-13,15-20,42,44H,1-9H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);10-13,15,17-21,42-43H,8-9,16H2,1-7H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);7-10,12-17,39H,1-6H3,(H2,38,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;;;;;;;;;;;;;;;;;;;;;;;;/q7*-1;21*+1;;;;;;;/p-14/b55-38+;49-37+;47-34+;45-34+;43-31+;44-32+;40-28+;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyINHHONNHKXMNJR-HFUYSNIRSA-A
XLogP-36.53
TPSA2277.26 Ų
H-Bond Donors25
H-Bond Acceptors120
Rotatable Bonds79
Heavy Atoms494
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007652.99
LogP ≤ 5-36.53
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 10120

Analyze henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate?
The IUPAC name of henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate (CID 159454523) is henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate.
What is the SMILES notation for henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate?
The canonical SMILES for henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate is CCCCNS(=O)(=O)c1ccccc1-c1c2cc(S(=O)(=O)[O-])/c(=[NH+]/c3c(C)cc(C)c(S(=O)(=O)[O-])c3C)cc-2oc2cc(Nc3c(C)cc(C)c(S(=O)(=O)[O-])c3C)[c-]cc12.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)N(C(C)C)C(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC(C)(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC(C)(C)CC(C)(C)C)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)NC3CCC(Nc4nc(NCCO)nc(NCCO)n4)CC3)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1[c-]cc2c(-c3ccccc3S(N)(=O)=O)c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C)cc(C)c(S(=O)(=O)[O-])c4C)cc-3oc2c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate?
The InChIKey is INHHONNHKXMNJR-HFUYSNIRSA-A. The full InChI is InChI=1S/C50H56N9O14S4.C47H48N3O12S4.C45H50N3O12S4.C43H46N3O12S4.2C41H42N3O12S4.C37H34N3O12S4.21Na.7O3S/c1-26-21-28(3)46(76(67,68)69)30(5)44(26)53-34-15-16-35-39(23-34)73-40-25-38(55-45-27(2)22-29(4)47(31(45)6)77(70,71)72)42(75(64,65)66)24-37(40)43(35)36-9-7-8-10-41(36)74(62,63)59-33-13-11-32(12-14-33)54-50-57-48(51-17-19-60)56-49(58-50)52-18-20-61;1-24-13-26(3)45(65(56,57)58)28(5)43(24)48-33-11-12-34-38(18-33)62-39-20-37(49-44-25(2)14-27(4)46(29(44)6)66(59,60)61)41(64(53,54)55)19-36(39)42(34)35-9-7-8-10-40(35)63(51,52)50-47-21-30-15-31(22-47)17-32(16-30)23-47;1-24-18-26(3)42(63(54,55)56)28(5)40(24)46-30-16-17-31-35(20-30)60-36-22-34(47-41-25(2)19-27(4)43(29(41)6)64(57,58)59)38(62(51,52)53)21-33(36)39(31)32-14-12-13-15-37(32)61(49,50)48-45(10,11)23-44(7,8)9;1-22(2)46(23(3)4)59(47,48)37-14-12-11-13-32(37)39-31-16-15-30(44-40-24(5)17-26(7)42(28(40)9)61(52,53)54)19-35(31)58-36-21-34(38(20-33(36)39)60(49,50)51)45-41-25(6)18-27(8)43(29(41)10)62(55,56)57;1-21-16-23(3)39(59(50,51)52)25(5)37(21)42-27-14-15-28-32(18-27)56-33-20-31(43-38-22(2)17-24(4)40(26(38)6)60(53,54)55)35(58(47,48)49)19-30(33)36(28)29-12-10-11-13-34(29)57(45,46)44-41(7,8)9;1-8-9-16-42-57(45,46)35-13-11-10-12-30(35)37-29-15-14-28(43-38-22(2)17-24(4)40(26(38)6)59(50,51)52)19-33(29)56-34-21-32(36(20-31(34)37)58(47,48)49)44-39-23(3)18-25(5)41(27(39)7)60(53,54)55;1-18-13-20(3)36(55(46,47)48)22(5)34(18)39-24-11-12-25-29(15-24)52-30-17-28(40-35-19(2)14-21(4)37(23(35)6)56(49,50)51)32(54(43,44)45)16-27(30)33(25)26-9-7-8-10-31(26)53(38,41)42;;;;;;;;;;;;;;;;;;;;;;7*1-4(2)3/h7-10,16,21-25,32-33,53,59-61H,11-14,17-20H2,1-6H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H3,51,52,54,56,57,58);7-10,12-14,18-20,30-32,48,50H,15-17,21-23H2,1-6H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);12-15,17-22,46,48H,23H2,1-11H3,(H,51,52,53)(H,54,55,56)(H,57,58,59);11-14,16-23,44H,1-10H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);10-13,15-20,42,44H,1-9H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);10-13,15,17-21,42-43H,8-9,16H2,1-7H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);7-10,12-17,39H,1-6H3,(H2,38,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;;;;;;;;;;;;;;;;;;;;;;;;/q7*-1;21*+1;;;;;;;/p-14/b55-38+;49-37+;47-34+;45-34+;43-31+;44-32+;40-28+;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate?
henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate has a molecular weight of 7652.99 g/mol, XLogP of -36.53, 79 rotatable bonds, 25 hydrogen bond donors, and 120 hydrogen bond acceptors.
Where does this data come from?
All data for henicosasodium;9-[2-(1-adamantylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-(tert-butylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-[2-[di(propan-2-yl)sulfamoyl]phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;9-(2-sulfamoylphenyl)-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;heptakis(sulfur trioxide);9-[2-(2,4,4-trimethylpentan-2-ylsulfamoyl)phenyl]-6-(2,4,6-trimethyl-3-sulfonatoanilino)-3-(2,4,6-trimethyl-3-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate is sourced from PubChem (CID 159454523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).