palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid

C220H240I24N16O40PdS8+4 — CID 140651532

IUPACpalladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid
SMILESCC1(CCCCS(=O)(=O)O)C(/C=C/C=C/C=C/C=C2\N(CCCNC(=O)COc3ccc(-c4c5nc(c(-c6ccc(OCC(=O)NCCCN7/C(=C\C=C\C=C\C=C\C8=[N+](CCCCCC(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)cc6)c6ccc([n-]6)c(-c6ccc(OCC(=O)NCCCN7/C(=C\C=C\C=C\C=C\C8=[N+](CCCCCC(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)cc6)c6nc(c(-c7ccc(OCC(=O)NCCCN8/C(=C\C=C\C=C\C=C\C9=[N+](CCCCCC(=O)O)c%10cc(I)c(I)c(I)c%10C9(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c9c8cc(I)c(I)c9I)cc7)c7ccc4[n-]7)CC6)CC5)cc3)c3cc(I)c(I)c(I)c3C2(C)CCCCS(=O)(=O)O)=[N+](CCCCCC(=O)O)c2cc(I)c(I)c(I)c21.[Pd+2]
InChIInChI=1S/C220H238I24N16O40S8.Pd/c1-213(97-37-49-117-301(273,274)275)169(253(109-45-21-33-69-181(265)266)161-125-145(221)197(229)205(237)189(161)213)61-25-13-9-17-29-65-173-217(5,101-41-53-121-305(285,286)287)193-165(129-149(225)201(233)209(193)241)257(173)113-57-105-245-177(261)133-297-141-81-73-137(74-82-141)185-153-89-91-155(249-153)186(138-75-83-142(84-76-138)298-134-178(262)246-106-58-114-258-166-130-150(226)202(234)210(242)194(166)218(6,102-42-54-122-306(288,289)290)174(258)66-30-18-10-14-26-62-170-214(2,98-38-50-118-302(276,277)278)190-162(126-146(222)198(230)206(190)238)254(170)110-46-22-34-70-182(267)268)157-93-95-159(251-157)188(140-79-87-144(88-80-140)300-136-180(264)248-108-60-116-260-168-132-152(228)204(236)212(244)196(168)220(8,104-44-56-124-308(294,295)296)176(260)68-32-20-12-16-28-64-172-216(4,100-40-52-120-304(282,283)284)192-164(128-148(224)200(232)208(192)240)256(172)112-48-24-36-72-184(271)272)160-96-94-158(252-160)187(156-92-90-154(185)250-156)139-77-85-143(86-78-139)299-135-179(263)247-107-59-115-259-167-131-151(227)203(235)211(243)195(167)219(7,103-43-55-123-307(291,292)293)175(259)67-31-19-11-15-27-63-171-215(3,99-39-51-119-303(279,280)281)191-163(127-147(223)199(231)207(191)239)255(171)111-47-23-35-71-183(269)270;/h9-20,25-32,61-68,73-89,91,94,96,125-132H,21-24,33-60,69-72,90,92-93,95,97-124,133-136H2,1-8H3,(H14-4,245,246,247,248,249,250,251,252,261,262,263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296);/q;+2/p+2
InChIKeyQJRCQIISXUCFDQ-UHFFFAOYSA-P
MW7157.06 g/mol
LogP52.45
Rot. Bonds112

About palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid

palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid (PubChem CID 140651532) has the molecular formula C220H240I24N16O40PdS8+4 and a molecular weight of 7157.06 g/mol. Its IUPAC name is palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid.

Molecular Properties

Compound Namepalladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid
PubChem CID140651532
Molecular FormulaC220H240I24N16O40PdS8+4
Molecular Weight7157.06 g/mol
Exact Mass7153.11
IUPAC Namepalladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid
SMILESCC1(CCCCS(=O)(=O)O)C(/C=C/C=C/C=C/C=C2\N(CCCNC(=O)COc3ccc(-c4c5nc(c(-c6ccc(OCC(=O)NCCCN7/C(=C\C=C\C=C\C=C\C8=[N+](CCCCCC(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)cc6)c6ccc([n-]6)c(-c6ccc(OCC(=O)NCCCN7/C(=C\C=C\C=C\C=C\C8=[N+](CCCCCC(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)cc6)c6nc(c(-c7ccc(OCC(=O)NCCCN8/C(=C\C=C\C=C\C=C\C9=[N+](CCCCCC(=O)O)c%10cc(I)c(I)c(I)c%10C9(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c9c8cc(I)c(I)c9I)cc7)c7ccc4[n-]7)CC6)CC5)cc3)c3cc(I)c(I)c(I)c3C2(C)CCCCS(=O)(=O)O)=[N+](CCCCCC(=O)O)c2cc(I)c(I)c(I)c21.[Pd+2]
InChIInChI=1S/C220H238I24N16O40S8.Pd/c1-213(97-37-49-117-301(273,274)275)169(253(109-45-21-33-69-181(265)266)161-125-145(221)197(229)205(237)189(161)213)61-25-13-9-17-29-65-173-217(5,101-41-53-121-305(285,286)287)193-165(129-149(225)201(233)209(193)241)257(173)113-57-105-245-177(261)133-297-141-81-73-137(74-82-141)185-153-89-91-155(249-153)186(138-75-83-142(84-76-138)298-134-178(262)246-106-58-114-258-166-130-150(226)202(234)210(242)194(166)218(6,102-42-54-122-306(288,289)290)174(258)66-30-18-10-14-26-62-170-214(2,98-38-50-118-302(276,277)278)190-162(126-146(222)198(230)206(190)238)254(170)110-46-22-34-70-182(267)268)157-93-95-159(251-157)188(140-79-87-144(88-80-140)300-136-180(264)248-108-60-116-260-168-132-152(228)204(236)212(244)196(168)220(8,104-44-56-124-308(294,295)296)176(260)68-32-20-12-16-28-64-172-216(4,100-40-52-120-304(282,283)284)192-164(128-148(224)200(232)208(192)240)256(172)112-48-24-36-72-184(271)272)160-96-94-158(252-160)187(156-92-90-154(185)250-156)139-77-85-143(86-78-139)299-135-179(263)247-107-59-115-259-167-131-151(227)203(235)211(243)195(167)219(7,103-43-55-123-307(291,292)293)175(259)67-31-19-11-15-27-63-171-215(3,99-39-51-119-303(279,280)281)191-163(127-147(223)199(231)207(191)239)255(171)111-47-23-35-71-183(269)270;/h9-20,25-32,61-68,73-89,91,94,96,125-132H,21-24,33-60,69-72,90,92-93,95,97-124,133-136H2,1-8H3,(H14-4,245,246,247,248,249,250,251,252,261,262,263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296);/q;+2/p+2
InChIKeyQJRCQIISXUCFDQ-UHFFFAOYSA-P
XLogP52.45
TPSA816.46 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds112
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007157.06
LogP ≤ 552.45
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Analyze palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid?
The IUPAC name of palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid (CID 140651532) is palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid.
What is the SMILES notation for palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid?
The canonical SMILES for palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid is CC1(CCCCS(=O)(=O)O)C(/C=C/C=C/C=C/C=C2\N(CCCNC(=O)COc3ccc(-c4c5nc(c(-c6ccc(OCC(=O)NCCCN7/C(=C\C=C\C=C\C=C\C8=[N+](CCCCCC(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)cc6)c6ccc([n-]6)c(-c6ccc(OCC(=O)NCCCN7/C(=C\C=C\C=C\C=C\C8=[N+](CCCCCC(=O)O)c9cc(I)c(I)c(I)c9C8(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c8c7cc(I)c(I)c8I)cc6)c6nc(c(-c7ccc(OCC(=O)NCCCN8/C(=C\C=C\C=C\C=C\C9=[N+](CCCCCC(=O)O)c%10cc(I)c(I)c(I)c%10C9(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c9c8cc(I)c(I)c9I)cc7)c7ccc4[n-]7)CC6)CC5)cc3)c3cc(I)c(I)c(I)c3C2(C)CCCCS(=O)(=O)O)=[N+](CCCCCC(=O)O)c2cc(I)c(I)c(I)c21.[Pd+2].
What is the InChIKey of palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid?
The InChIKey is QJRCQIISXUCFDQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C220H238I24N16O40S8.Pd/c1-213(97-37-49-117-301(273,274)275)169(253(109-45-21-33-69-181(265)266)161-125-145(221)197(229)205(237)189(161)213)61-25-13-9-17-29-65-173-217(5,101-41-53-121-305(285,286)287)193-165(129-149(225)201(233)209(193)241)257(173)113-57-105-245-177(261)133-297-141-81-73-137(74-82-141)185-153-89-91-155(249-153)186(138-75-83-142(84-76-138)298-134-178(262)246-106-58-114-258-166-130-150(226)202(234)210(242)194(166)218(6,102-42-54-122-306(288,289)290)174(258)66-30-18-10-14-26-62-170-214(2,98-38-50-118-302(276,277)278)190-162(126-146(222)198(230)206(190)238)254(170)110-46-22-34-70-182(267)268)157-93-95-159(251-157)188(140-79-87-144(88-80-140)300-136-180(264)248-108-60-116-260-168-132-152(228)204(236)212(244)196(168)220(8,104-44-56-124-308(294,295)296)176(260)68-32-20-12-16-28-64-172-216(4,100-40-52-120-304(282,283)284)192-164(128-148(224)200(232)208(192)240)256(172)112-48-24-36-72-184(271)272)160-96-94-158(252-160)187(156-92-90-154(185)250-156)139-77-85-143(86-78-139)299-135-179(263)247-107-59-115-259-167-131-151(227)203(235)211(243)195(167)219(7,103-43-55-123-307(291,292)293)175(259)67-31-19-11-15-27-63-171-215(3,99-39-51-119-303(279,280)281)191-163(127-147(223)199(231)207(191)239)255(171)111-47-23-35-71-183(269)270;/h9-20,25-32,61-68,73-89,91,94,96,125-132H,21-24,33-60,69-72,90,92-93,95,97-124,133-136H2,1-8H3,(H14-4,245,246,247,248,249,250,251,252,261,262,263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296);/q;+2/p+2.
What are the key properties of palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid?
palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid has a molecular weight of 7157.06 g/mol, XLogP of 52.45, 112 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);6-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-2-[(1E,3E,5E,7Z)-7-[4,5,6-triiodo-3-methyl-3-(4-sulfobutyl)-1-[3-[[2-[4-[10,15,20-tris[4-[2-[3-[(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-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-3-(4-sulfobutyl)indol-1-yl]propylamino]-2-oxoethoxy]phenyl]-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]phenoxy]acetyl]amino]propyl]indol-2-ylidene]hepta-1,3,5-trienyl]indol-1-ium-1-yl]hexanoic acid is sourced from PubChem (CID 140651532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).