bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C107H132N10O31S21 — CID 159051664

IUPACbis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC=CC1CC(/C=C/C2CC(/C=C/c3ccccc3)C3C(=O)N(CC(=O)OCC4(C)C5(C)ON(C(=O)Nc6ccc([N+](=O)[O-])cc6)C4(C)C(C)=C5C)C(=O)C23)C2C(=O)N(CC(=O)OCCOC)C(=O)C12.CC1=C(C)C2(C)N(C(=O)Nc3ccc([N+](=O)[O-])cc3)OC1(C)C2(C)CCC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.COCCOCCOCCOCCOCCOCCOCCOC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S
InChIInChI=1S/C51H57N5O13.C30H34N4O7.C26H41NO11.S8.S7.S6/c1-8-32-24-34(41-40(32)44(59)53(45(41)60)26-38(57)67-23-22-66-7)16-17-35-25-33(15-14-31-12-10-9-11-13-31)42-43(35)47(62)54(46(42)61)27-39(58)68-28-49(4)50(5)29(2)30(3)51(49,6)69-55(50)48(63)52-36-18-20-37(21-19-36)56(64)65;1-16-17(2)30(5)28(3,29(16,4)33(41-30)27(38)31-20-8-10-21(11-9-20)34(39)40)13-12-22(35)15-32-25(36)23-18-6-7-19(14-18)24(23)26(32)37;1-31-4-5-32-6-7-33-8-9-34-10-11-35-12-13-36-14-15-37-16-17-38-22(28)19-27-25(29)23-20-2-3-21(18-20)24(23)26(27)30;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h8-21,32-35,40-43H,1,22-28H2,2-7H3,(H,52,63);6-11,18-19,23-24H,12-15H2,1-5H3,(H,31,38);2-3,20-21,23-24H,4-19H2,1H3;;;/b15-14+,17-16+;;;;;
InChIKeyJXIMNSLAOGMYTH-SPYUZGAASA-N
MW2727.68 g/mol
LogP10.35
Rot. Bonds46

About bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 159051664) has the molecular formula C107H132N10O31S21 and a molecular weight of 2727.68 g/mol. Its IUPAC name is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Namebis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID159051664
Molecular FormulaC107H132N10O31S21
Molecular Weight2727.68 g/mol
Exact Mass2724.32
IUPAC Namebis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC=CC1CC(/C=C/C2CC(/C=C/c3ccccc3)C3C(=O)N(CC(=O)OCC4(C)C5(C)ON(C(=O)Nc6ccc([N+](=O)[O-])cc6)C4(C)C(C)=C5C)C(=O)C23)C2C(=O)N(CC(=O)OCCOC)C(=O)C12.CC1=C(C)C2(C)N(C(=O)Nc3ccc([N+](=O)[O-])cc3)OC1(C)C2(C)CCC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.COCCOCCOCCOCCOCCOCCOCCOC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S
InChIInChI=1S/C51H57N5O13.C30H34N4O7.C26H41NO11.S8.S7.S6/c1-8-32-24-34(41-40(32)44(59)53(45(41)60)26-38(57)67-23-22-66-7)16-17-35-25-33(15-14-31-12-10-9-11-13-31)42-43(35)47(62)54(46(42)61)27-39(58)68-28-49(4)50(5)29(2)30(3)51(49,6)69-55(50)48(63)52-36-18-20-37(21-19-36)56(64)65;1-16-17(2)30(5)28(3,29(16,4)33(41-30)27(38)31-20-8-10-21(11-9-20)34(39)40)13-12-22(35)15-32-25(36)23-18-6-7-19(14-18)24(23)26(32)37;1-31-4-5-32-6-7-33-8-9-34-10-11-35-12-13-36-14-15-37-16-17-38-22(28)19-27-25(29)23-20-2-3-21(18-20)24(23)26(27)30;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h8-21,32-35,40-43H,1,22-28H2,2-7H3,(H,52,63);6-11,18-19,23-24H,12-15H2,1-5H3,(H,31,38);2-3,20-21,23-24H,4-19H2,1H3;;;/b15-14+,17-16+;;;;;
InChIKeyJXIMNSLAOGMYTH-SPYUZGAASA-N
XLogP10.35
TPSA488.75 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds46
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002727.68
LogP ≤ 510.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Related Compounds

[(1R,4S,7R)-3-acetyl-1,4,5,6,7-pentamethyl-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methyl 2-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 132989827
2-methoxyethyl 2-[(3aR,6aS)-4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate
CID 169317814
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 11937494
ethyl 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98176611
3-phenylpropyl 4-(4-nitroanilino)-4-oxobutanoate
CID 4934328
2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 98402292
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N,3-bis(4-nitrophenyl)propanamide
CID 54775167
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-nitrophenyl)acetamide
CID 98208528
2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 18555234
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 98587200
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-nitrophenyl)propanamide
CID 22107718
2-phenylethyl 4-(4-nitroanilino)-4-oxobutanoate
CID 4946747

Frequently Asked Questions

What is the IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 159051664) is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C=CC1CC(/C=C/C2CC(/C=C/c3ccccc3)C3C(=O)N(CC(=O)OCC4(C)C5(C)ON(C(=O)Nc6ccc([N+](=O)[O-])cc6)C4(C)C(C)=C5C)C(=O)C23)C2C(=O)N(CC(=O)OCCOC)C(=O)C12.CC1=C(C)C2(C)N(C(=O)Nc3ccc([N+](=O)[O-])cc3)OC1(C)C2(C)CCC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.COCCOCCOCCOCCOCCOCCOCCOC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S.
What is the InChIKey of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is JXIMNSLAOGMYTH-SPYUZGAASA-N. The full InChI is InChI=1S/C51H57N5O13.C30H34N4O7.C26H41NO11.S8.S7.S6/c1-8-32-24-34(41-40(32)44(59)53(45(41)60)26-38(57)67-23-22-66-7)16-17-35-25-33(15-14-31-12-10-9-11-13-31)42-43(35)47(62)54(46(42)61)27-39(58)68-28-49(4)50(5)29(2)30(3)51(49,6)69-55(50)48(63)52-36-18-20-37(21-19-36)56(64)65;1-16-17(2)30(5)28(3,29(16,4)33(41-30)27(38)31-20-8-10-21(11-9-20)34(39)40)13-12-22(35)15-32-25(36)23-18-6-7-19(14-18)24(23)26(32)37;1-31-4-5-32-6-7-33-8-9-34-10-11-35-12-13-36-14-15-37-16-17-38-22(28)19-27-25(29)23-20-2-3-21(18-20)24(23)26(27)30;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h8-21,32-35,40-43H,1,22-28H2,2-7H3,(H,52,63);6-11,18-19,23-24H,12-15H2,1-5H3,(H,31,38);2-3,20-21,23-24H,4-19H2,1H3;;;/b15-14+,17-16+;;;;;.
What are the key properties of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 2727.68 g/mol, XLogP of 10.35, 46 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;7-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-oxobutyl]-1,4,5,6,7-pentamethyl-N-(4-nitrophenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate;2-methoxyethyl 2-[4-[(E)-2-[1,3-dioxo-2-[2-oxo-2-[[1,4,5,6,7-pentamethyl-3-[(4-nitrophenyl)carbamoyl]-2-oxa-3-azabicyclo[2.2.1]hept-5-en-7-yl]methoxy]ethyl]-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-6-yl]ethenyl]-6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 159051664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).