3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)

C155H199N21O58S16 — CID 158317075

About 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)

3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide) (PubChem CID 158317075) has the molecular formula C155H199N21O58S16 and a molecular weight of 3797.46 g/mol. Its IUPAC name is 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide).

Molecular Properties

• Compound Name: 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)
• PubChem CID: 158317075
• Molecular Formula: C155H199N21O58S16
• Molecular Weight: 3797.46 g/mol
• Exact Mass: 3793.88
• IUPAC Name: 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)
• SMILES: CCCOC(=O)c1cc(C(=O)NC2CCN(c3nc(N4CCC(CC(=O)c5cc(C(=O)OCCCS(=O)(=O)O)c6c(c5)N(CCCS(=O)(=O)O)/C(=C/C=C/C5=[N+](CCCS(=O)(=O)[O-])c7ccccc7C5(C)CCCS(=O)(=O)O)C6(C)C)CC4)nc(N4CCC(C(=O)NC5CCN(c6nc(N7CCC(NC(=O)CCCCCN8/C(=C/C=C/C=C/C9=[N+](CCCS(=O)(=O)[O-])c%10ccc%11c(S(=O)(=O)O)cccc%11c%10C9(C)CCC)C(C)(C)c9c8ccc8c(S(=O)(=O)O)cccc98)CC7)nc(N7CCC(C(=O)O)CC7)n6)CC5)CC4)n3)CC2)cc2c1C(C)(C)/C(=C\C=C\C1=[N+](CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)O)cc3C1(C)CCC)N2CCCS(=O)(=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/C155H199N21O40S10.6O3S/c1-13-66-153(10)118-101-110(224(206,207)208)48-51-120(118)172(71-30-91-219(191,192)193)131(153)45-26-43-130-152(8,9)137-116(142(183)215-87-15-3)98-106(100-124(137)176(130)74-33-94-222(200,201)202)140(180)158-109-64-85-170(86-65-109)147-160-144(165-75-54-102(55-76-165)96-125(177)105-97-115(143(184)216-88-34-95-223(203,204)205)136-123(99-105)175(73-32-93-221(197,198)199)129(151(136,6)7)44-27-46-132-154(11,68-28-89-217(185,186)187)117-37-21-22-38-119(117)171(132)70-29-90-218(188,189)190)159-145(161-147)166-77-56-103(57-78-166)139(179)157-108-62-83-169(84-63-108)149-163-146(167-79-58-104(59-80-167)141(181)182)162-148(164-149)168-81-60-107(61-82-168)156-134(178)47-20-17-23-69-173-121-52-49-111-113(35-24-39-126(111)225(209,210)211)135(121)150(4,5)128(173)41-18-16-19-42-133-155(12,67-14-2)138-114-36-25-40-127(226(212,213)214)112(114)50-53-122(138)174(133)72-31-92-220(194,195)196;6*1-4(2)3/h16,18-19,21-22,24-27,35-46,48-53,97-104,107-109H,13-15,17,20,23,28-34,47,54-96H2,1-12H3,(H11-3,156,157,158,178,179,180,181,182,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214)
• InChIKey: GOJSQHMTJRSZLU-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 1169.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 65
• Rotatable Bonds: 67
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3797.46
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)?

The IUPAC name of 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide) (CID 158317075) is 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide).

What is the SMILES notation for 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)?

The canonical SMILES for 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide) is CCCOC(=O)c1cc(C(=O)NC2CCN(c3nc(N4CCC(CC(=O)c5cc(C(=O)OCCCS(=O)(=O)O)c6c(c5)N(CCCS(=O)(=O)O)/C(=C/C=C/C5=[N+](CCCS(=O)(=O)[O-])c7ccccc7C5(C)CCCS(=O)(=O)O)C6(C)C)CC4)nc(N4CCC(C(=O)NC5CCN(c6nc(N7CCC(NC(=O)CCCCCN8/C(=C/C=C/C=C/C9=[N+](CCCS(=O)(=O)[O-])c%10ccc%11c(S(=O)(=O)O)cccc%11c%10C9(C)CCC)C(C)(C)c9c8ccc8c(S(=O)(=O)O)cccc98)CC7)nc(N7CCC(C(=O)O)CC7)n6)CC5)CC4)n3)CC2)cc2c1C(C)(C)/C(=C\C=C\C1=[N+](CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)O)cc3C1(C)CCC)N2CCCS(=O)(=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-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)?

The InChIKey is GOJSQHMTJRSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H199N21O40S10.6O3S/c1-13-66-153(10)118-101-110(224(206,207)208)48-51-120(118)172(71-30-91-219(191,192)193)131(153)45-26-43-130-152(8,9)137-116(142(183)215-87-15-3)98-106(100-124(137)176(130)74-33-94-222(200,201)202)140(180)158-109-64-85-170(86-65-109)147-160-144(165-75-54-102(55-76-165)96-125(177)105-97-115(143(184)216-88-34-95-223(203,204)205)136-123(99-105)175(73-32-93-221(197,198)199)129(151(136,6)7)44-27-46-132-154(11,68-28-89-217(185,186)187)117-37-21-22-38-119(117)171(132)70-29-90-218(188,189)190)159-145(161-147)166-77-56-103(57-78-166)139(179)157-108-62-83-169(84-63-108)149-163-146(167-79-58-104(59-80-167)141(181)182)162-148(164-149)168-81-60-107(61-82-168)156-134(178)47-20-17-23-69-173-121-52-49-111-113(35-24-39-126(111)225(209,210)211)135(121)150(4,5)128(173)41-18-16-19-42-133-155(12,67-14-2)138-114-36-25-40-127(226(212,213)214)112(114)50-53-122(138)174(133)72-31-92-220(194,195)196;6*1-4(2)3/h16,18-19,21-22,24-27,35-46,48-53,97-104,107-109H,13-15,17,20,23,28-34,47,54-96H2,1-12H3,(H11-3,156,157,158,178,179,180,181,182,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214);;;;;;.

What are the key properties of 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide)?

3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide) has a molecular weight of 3797.46 g/mol, XLogP of 11.59, 67 rotatable bonds, 11 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(E,3E)-3-[6-[[1-[4-[4-[[1-[4-(4-carboxypiperidin-1-yl)-6-[4-[6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-[1-methyl-1-propyl-6-sulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-6-sulfobenzo[e]indol-3-yl]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]piperidin-1-yl]-6-[4-[2-[(2E)-3,3-dimethyl-2-[(E)-3-[3-methyl-1-(3-sulfonatopropyl)-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-4-(3-sulfopropoxycarbonyl)-1-(3-sulfopropyl)indol-6-yl]-2-oxoethyl]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamoyl]-3,3-dimethyl-4-propoxycarbonyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3-methyl-3-propyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate;hexakis(sulfur trioxide) is sourced from PubChem (CID 158317075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).