About 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+)
2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+) (PubChem CID 140655697) has the molecular formula C224H256I24N16O32PdS8+4
and a molecular weight of 7093.24 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+).
Frequently Asked Questions
What is the IUPAC name of 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+)?
The IUPAC name of 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+) (CID 140655697) is 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+).
What is the SMILES notation for 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+)?
The canonical SMILES for 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+) is CCCCC(C(=O)O)C1(C)/C(=C/C=C/C=C/C=C/C2=[N+](CCCNS(=O)(=O)CCCCOc3cccc(-c4c5nc(c(-c6cccc(OCCCCS(=O)(=O)NCCC[N+]7=C(/C=C/C=C/C=C/C=C8\N(CCC)c9cc(I)c(I)c(I)c9C8(C)CCCCCC(=O)O)C(C)(C(CCC)S(=O)(=O)O)c8c7cc(I)c(I)c8I)c6)c6ccc([n-]6)c(-c6cccc(OCCCCS(=O)(=O)NCCC[N+]7=C(/C=C/C=C/C=C/C=C8\N(CCC)c9cc(I)c(I)c(I)c9C8(C)CCCCCC(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)c6)c6nc(c(-c7cccc(OCCCCS(=O)(=O)NCCC[N+]8=C(/C=C/C=C/C=C/C=C9\N(CCCS(=O)(=O)O)c%10cc(I)c(I)c(I)c%10C9(C)CCCCCC(=O)O)C(C)(CCCC)c9c8cc(I)c(I)c9I)c7)c7ccc4[n-]7)CC6)CC5)c3)c3cc(I)c(I)c(I)c3C2(C)CCCC)N(CCCS(=O)(=O)O)c2cc(I)c(I)c(I)c21.[Pd+2].
What is the InChIKey of 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+)?
The InChIKey is HPUCIJVHMSKYPL-UHFFFAOYSA-P. The full InChI is InChI=1S/C224H254I24N16O32S8.Pd/c1-15-21-82-151(216(271)272)223(13)182(264(119-72-130-303(287,288)289)174-141-158(231)206(239)214(247)198(174)223)89-45-34-26-33-42-86-179-218(8,103-23-17-3)195-171(138-155(228)203(236)211(195)244)260(179)115-68-109-250-298(275,276)125-60-55-121-294-148-79-64-75-144(132-148)189-162-95-94-160(253-162)188(143-74-63-78-147(131-143)293-120-54-59-124-297(273,274)249-108-67-114-259-170-137-154(227)202(235)210(243)194(170)217(7,102-22-16-2)178(259)85-41-29-25-31-44-88-181-221(11,106-52-38-49-93-187(269)270)197-173(140-157(230)205(238)213(197)246)262(181)118-71-129-302(284,285)286)161-96-97-163(254-161)190(145-76-65-80-149(133-145)295-122-56-61-126-299(277,278)251-110-69-116-261-172-139-156(229)204(237)212(245)196(172)222(12,107-53-58-128-301(281,282)283)180(261)87-43-30-24-28-39-83-176-219(9,104-50-36-47-91-185(265)266)192-168(257(176)112-19-5)135-152(225)200(233)208(192)241)165-99-101-167(256-165)191(166-100-98-164(189)255-166)146-77-66-81-150(134-146)296-123-57-62-127-300(279,280)252-111-70-117-263-175-142-159(232)207(240)215(248)199(175)224(14,184(73-18-4)304(290,291)292)183(263)90-46-35-27-32-40-84-177-220(10,105-51-37-48-92-186(267)268)193-169(258(177)113-20-6)136-153(226)201(234)209(193)242;/h24-35,39-46,63-66,74-81,83-90,94-95,99,101,131-142,151,184,249-252H,15-23,36-38,47-62,67-73,82,91-93,96-98,100,102-130H2,1-14H3,(H6-4,253,254,255,256,265,266,267,268,269,270,271,272,281,282,283,284,285,286,287,288,289,290,291,292);/q;+2/p+2.
What are the key properties of 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+)?
2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+) has a molecular weight of 7093.24 g/mol, XLogP of 57.61, 114 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2E,4E,6E)-7-[3-butyl-1-[3-[4-[3-[10-[3-[4-[3-[3-butyl-2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methylindol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-20-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(1-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-15-[3-[4-[3-[2-[(1E,3E,5E,7Z)-7-[3-(5-carboxypentyl)-4,5,6-triiodo-3-methyl-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)indol-1-ium-1-yl]propylsulfamoyl]butoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]butylsulfonylamino]propyl]-4,5,6-triiodo-3-methylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-(3-sulfopropyl)indol-3-yl]hexanoic acid;palladium(2+) is sourced from PubChem (CID 140655697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).