3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)

C178H229N28O61S15+ — CID 158836620

About 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)

3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide) (PubChem CID 158836620) has the molecular formula C178H229N28O61S15+ and a molecular weight of 4217.93 g/mol. Its IUPAC name is 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide).

Molecular Properties

• Compound Name: 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)
• PubChem CID: 158836620
• Molecular Formula: C178H229N28O61S15+
• Molecular Weight: 4217.93 g/mol
• Exact Mass: 4214.15
• IUPAC Name: 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)
• SMILES: CCCC[N+]1=C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccccc3C2(C)CCC)C(C)(C)c2c(C(=O)OCCCS(=O)(=O)O)cc(C(=O)NC3CCN(c4nc(N5CCC(NC(=O)CCCCCNC(=O)c6cc(-c7cc8c(c9ccccc79)[N+](CCCS(=O)(=O)[O-])=C(/C=C/C=C7/N(CCC)c9c(cc(-c%10cc(C(=O)NCCCCCC(=O)NC%11CCN(c%12nc(N%13CCCCC%13)nc(N%13CCC(NC(=O)c%14cc(C(=O)OCCC)c%15c(c%14)[N+](CCCS(=O)(=O)[O-])=C(/C=C/C=C%14/N(CCC)c%16ccc(S(=O)(=O)O)cc%16C%14(C)CCCS(=O)(=O)O)C%15(C)C)CC%13)n%12)CC%11)nc(C(=O)NCCS(=O)(=O)O)c%10)c%10ccc(S(=O)(=O)O)cc9%10)C7(C)C)C8(C)C)cc(C(=O)NCC)n6)CC5)nc(N5CCC(C(=O)O)CC5)n4)CC3)cc21.O=C=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.O=S(=O)=O
• InChI: InChI=1S/C177H228N28O38S8.CO2.7O3S/c1-17-23-80-202-143-108-118(103-132(165(217)243-95-44-100-248(230,231)232)154(143)174(11,12)147(202)51-38-53-149-176(15,71-18-2)133-47-31-32-48-141(133)201(149)81-41-97-245(221,222)223)158(209)185-122-69-92-199(93-70-122)171-191-167(195-84-61-114(62-85-195)163(214)215)190-170(193-171)197-88-65-120(66-89-197)183-152(207)55-27-24-33-73-179-160(211)138-105-115(104-137(186-138)159(210)178-22-6)128-112-135-155(127-46-30-29-45-125(127)128)205(83-43-99-247(227,228)229)146(172(135,7)8)50-37-49-145-173(9,10)136-113-129(126-59-57-123(250(236,237)238)110-130(126)156(136)204(145)77-20-4)116-106-139(187-140(107-116)162(213)181-75-101-249(233,234)235)161(212)180-74-34-25-28-56-151(206)182-119-63-86-196(87-64-119)168-188-166(194-78-35-26-36-79-194)189-169(192-168)198-90-67-121(68-91-198)184-157(208)117-102-131(164(216)242-94-21-5)153-144(109-117)203(82-42-98-246(224,225)226)148(175(153,13)14)52-39-54-150-177(16,72-40-96-244(218,219)220)134-111-124(251(239,240)241)58-60-142(134)200(150)76-19-3;2-1-3;7*1-4(2)3/h29-32,37-39,45-54,57-60,102-114,119-122H,17-28,33-36,40-44,55-56,61-101H2,1-16H3,(H14-3,178,179,180,181,182,183,184,185,206,207,208,209,210,211,212,213,214,215,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241);;;;;;;;/p+1
• InChIKey: RZGZHPUMAUCIRH-UHFFFAOYSA-O
• XLogP: 13.02
• TPSA: 1297.24 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 71
• Rotatable Bonds: 76
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4217.93
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	71

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)?

The IUPAC name of 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide) (CID 158836620) is 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide).

What is the SMILES notation for 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)?

The canonical SMILES for 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide) is CCCC[N+]1=C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccccc3C2(C)CCC)C(C)(C)c2c(C(=O)OCCCS(=O)(=O)O)cc(C(=O)NC3CCN(c4nc(N5CCC(NC(=O)CCCCCNC(=O)c6cc(-c7cc8c(c9ccccc79)[N+](CCCS(=O)(=O)[O-])=C(/C=C/C=C7/N(CCC)c9c(cc(-c%10cc(C(=O)NCCCCCC(=O)NC%11CCN(c%12nc(N%13CCCCC%13)nc(N%13CCC(NC(=O)c%14cc(C(=O)OCCC)c%15c(c%14)[N+](CCCS(=O)(=O)[O-])=C(/C=C/C=C%14/N(CCC)c%16ccc(S(=O)(=O)O)cc%16C%14(C)CCCS(=O)(=O)O)C%15(C)C)CC%13)n%12)CC%11)nc(C(=O)NCCS(=O)(=O)O)c%10)c%10ccc(S(=O)(=O)O)cc9%10)C7(C)C)C8(C)C)cc(C(=O)NCC)n6)CC5)nc(N5CCC(C(=O)O)CC5)n4)CC3)cc21.O=C=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.O=S(=O)=O.

What is the InChIKey of 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)?

The InChIKey is RZGZHPUMAUCIRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C177H228N28O38S8.CO2.7O3S/c1-17-23-80-202-143-108-118(103-132(165(217)243-95-44-100-248(230,231)232)154(143)174(11,12)147(202)51-38-53-149-176(15,71-18-2)133-47-31-32-48-141(133)201(149)81-41-97-245(221,222)223)158(209)185-122-69-92-199(93-70-122)171-191-167(195-84-61-114(62-85-195)163(214)215)190-170(193-171)197-88-65-120(66-89-197)183-152(207)55-27-24-33-73-179-160(211)138-105-115(104-137(186-138)159(210)178-22-6)128-112-135-155(127-46-30-29-45-125(127)128)205(83-43-99-247(227,228)229)146(172(135,7)8)50-37-49-145-173(9,10)136-113-129(126-59-57-123(250(236,237)238)110-130(126)156(136)204(145)77-20-4)116-106-139(187-140(107-116)162(213)181-75-101-249(233,234)235)161(212)180-74-34-25-28-56-151(206)182-119-63-86-196(87-64-119)168-188-166(194-78-35-26-36-79-194)189-169(192-168)198-90-67-121(68-91-198)184-157(208)117-102-131(164(216)242-94-21-5)153-144(109-117)203(82-42-98-246(224,225)226)148(175(153,13)14)52-39-54-150-177(16,72-40-96-244(218,219)220)134-111-124(251(239,240)241)58-60-142(134)200(150)76-19-3;2-1-3;7*1-4(2)3/h29-32,37-39,45-54,57-60,102-114,119-122H,17-28,33-36,40-44,55-56,61-101H2,1-16H3,(H14-3,178,179,180,181,182,183,184,185,206,207,208,209,210,211,212,213,214,215,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241);;;;;;;;/p+1.

What are the key properties of 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide)?

3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide) has a molecular weight of 4217.93 g/mol, XLogP of 13.02, 76 rotatable bonds, 15 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[4-[4-[6-[[4-[(2E)-2-[(E)-3-[5-[2-[[6-[[1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(ethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)benzo[g]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-5-yl]-6-(2-sulfoethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonylindol-1-ium-1-yl]propane-1-sulfonate;carbon dioxide;heptakis(sulfur trioxide) is sourced from PubChem (CID 158836620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).