About 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+)
6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+) (PubChem CID 140651526) has the molecular formula C224H256I24N16O31PdS8+4
and a molecular weight of 7077.25 g/mol. Its IUPAC name is 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+).
Frequently Asked Questions
What is the IUPAC name of 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+)?
The IUPAC name of 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+) (CID 140651526) is 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+).
What is the SMILES notation for 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+)?
The canonical SMILES for 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+) is CCCCC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCS(=O)(=O)O)c3cc(I)c(I)c(I)c3C2(C)CCCCCC(=O)O)=[N+](CCCNS(=O)(=O)CCCCOc2cccc(-c3c4nc(c(-c5cccc(OCCCCS(=O)(=O)NCCC[N+]6=C(/C=C/C=C/C=C/C=C7\N(CCC)c8cc(I)c(I)c(I)c8C7(C)CCCCCC=O)C(C)(CCCCS(=O)(=O)O)c7c6cc(I)c(I)c7I)c5)c5ccc([n-]5)c(-c5cccc(OCCCCS(=O)(=O)NCCC[N+]6=C(/C=C/C=C/C=C/C=C7\N(CCC)c8cc(I)c(I)c(I)c8C7(C)CCCCCC(=O)O)C(C)(CCCCS(=O)(=O)O)c7c6cc(I)c(I)c7I)c5)c5nc(c(-c6cccc(OCCCCS(=O)(=O)NCCC[N+]7=C(/C=C/C=C/C=C/C=C8\N(CCCS(=O)(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCCC(=O)O)C(C)(CCCC)c8c7cc(I)c(I)c8I)c6)c6ccc3[n-]6)CC5)CC4)c2)c2cc(I)c(I)c(I)c21.[Pd+2].
What is the InChIKey of 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+)?
The InChIKey is PEOSQISSFPVRTA-UHFFFAOYSA-P. The full InChI is InChI=1S/C224H254I24N16O31S8.Pd/c1-13-17-101-217(5)180(84-38-25-21-29-42-88-184-221(9,105-49-34-45-91-187(268)269)199-176(144-160(231)207(239)215(199)247)263(184)119-72-132-302(286,287)288)259(172-140-156(227)203(235)211(243)195(172)217)115-68-109-249-296(272,273)126-60-54-122-292-150-78-64-74-146(134-150)189-162-93-94-163(253-162)190(147-75-65-79-151(135-147)293-123-55-61-127-297(274,275)250-110-69-116-260-173-141-157(228)204(236)212(244)196(173)218(6,102-18-14-2)181(260)85-39-26-22-30-43-89-185-222(10,106-50-35-46-92-188(270)271)200-177(145-161(232)208(240)216(200)248)264(185)120-73-133-303(289,290)291)165-96-98-167(255-165)192(149-77-67-81-153(137-149)295-125-57-63-129-299(278,279)252-112-71-118-262-175-143-159(230)206(238)214(246)198(175)224(12,108-52-59-131-301(283,284)285)183(262)87-41-28-20-24-37-83-179-220(8,104-48-33-44-90-186(266)267)194-171(258(179)114-16-4)139-155(226)202(234)210(194)242)169-100-99-168(256-169)191(166-97-95-164(189)254-166)148-76-66-80-152(136-148)294-124-56-62-128-298(276,277)251-111-70-117-261-174-142-158(229)205(237)213(245)197(174)223(11,107-51-58-130-300(280,281)282)182(261)86-40-27-19-23-36-82-178-219(7,103-47-31-32-53-121-265)193-170(257(178)113-15-3)138-154(225)201(233)209(193)241;/h19-30,36-43,64-67,74-89,93-94,99-100,121,134-145,249-252H,13-18,31-35,44-63,68-73,90-92,95-98,101-120,122-133H2,1-12H3,(H5-4,253,254,255,256,266,267,268,269,270,271,280,281,282,283,284,285,286,287,288,289,290,291);/q;+2/p+2.
What are the key properties of 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+)?
6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+) has a molecular weight of 7077.25 g/mol, XLogP of 57.87, 116 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-[(2E,4E,6E)-7-[1-[3-[4-[3-[15,20-bis[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]-10-[3-[4-[3-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(6-oxohexyl)-1-propylindol-2-ylidene]hepta-1,3,5-trienyl]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-methyl-3-(4-sulfobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-4,5,6-triiodo-3-methyl-1-propylindol-3-yl]hexanoic acid;palladium(2+) is sourced from PubChem (CID 140651526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).