bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne

C177H86BF6IN8O12S11 — CID 157340185

About bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne

bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne (PubChem CID 157340185) has the molecular formula C177H86BF6IN8O12S11 and a molecular weight of 3121.12 g/mol. Its IUPAC name is bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne.

Molecular Properties

• Compound Name: bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne
• PubChem CID: 157340185
• Molecular Formula: C177H86BF6IN8O12S11
• Molecular Weight: 3121.12 g/mol
• Exact Mass: 3118.23
• IUPAC Name: bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne
• SMILES: C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)c1c(-c2ccc(C(=O)O)c(F)c2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COC(=O)c1ccc(-c2c(C(C)C)n(-c3ccc(F)cc3)c3cc4cnn(S(=O)(=O)c5ccc(C)cc5)c4cc23)cc1F.COC(=O)c1ccc(B(O)O)cc1F.Cc1ccc(S(=O)(=O)n2ncc3cc4c(cc32)c(I)c(C(C)C)n4-c2ccc(F)cc2)cc1.S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C84H6.C33H27F2N3O4S.C26H20F2N2O2.C25H21FIN3O2S.C8H8BFO4.CH4.S9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-19(2)32-31(21-7-14-26(28(35)15-21)33(39)42-4)27-17-29-22(16-30(27)37(32)24-10-8-23(34)9-11-24)18-36-38(29)43(40,41)25-12-5-20(3)6-13-25;1-14(2)25-24(15-3-8-20(26(31)32)22(28)10-15)21-9-16-12-29-13-17(16)11-23(21)30(25)19-6-4-18(27)5-7-19;1-15(2)25-24(27)21-13-22-17(12-23(21)29(25)19-8-6-18(26)7-9-19)14-28-30(22)33(31,32)20-10-4-16(3)5-11-20;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;;1-3-5-7-9-8-6-4-2/h1-2H3;5-19H,1-4H3;3-11,13-14H,12H2,1-2H3,(H,31,32);4-15H,1-3H3;2-4,12-13H,1H3;1H4
• InChIKey: BGHOKRVSACJRQP-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 261.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3121.12
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne?

The IUPAC name of bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne (CID 157340185) is bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne.

What is the SMILES notation for bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne?

The canonical SMILES for bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne is C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)c1c(-c2ccc(C(=O)O)c(F)c2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COC(=O)c1ccc(-c2c(C(C)C)n(-c3ccc(F)cc3)c3cc4cnn(S(=O)(=O)c5ccc(C)cc5)c4cc23)cc1F.COC(=O)c1ccc(B(O)O)cc1F.Cc1ccc(S(=O)(=O)n2ncc3cc4c(cc32)c(I)c(C(C)C)n4-c2ccc(F)cc2)cc1.S=S=S=S=S=S=S=S=S.

What is the InChIKey of bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne?

The InChIKey is BGHOKRVSACJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H6.C33H27F2N3O4S.C26H20F2N2O2.C25H21FIN3O2S.C8H8BFO4.CH4.S9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-19(2)32-31(21-7-14-26(28(35)15-21)33(39)42-4)27-17-29-22(16-30(27)37(32)24-10-8-23(34)9-11-24)18-36-38(29)43(40,41)25-12-5-20(3)6-13-25;1-14(2)25-24(15-3-8-20(26(31)32)22(28)10-15)21-9-16-12-29-13-17(16)11-23(21)30(25)19-6-4-18(27)5-7-19;1-15(2)25-24(27)21-13-22-17(12-23(21)29(25)19-8-6-18(26)7-9-19)14-28-30(22)33(31,32)20-10-4-16(3)5-11-20;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;;1-3-5-7-9-8-6-4-2/h1-2H3;5-19H,1-4H3;3-11,13-14H,12H2,1-2H3,(H,31,32);4-15H,1-3H3;2-4,12-13H,1H3;1H4;.

What are the key properties of bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne?

bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne has a molecular weight of 3121.12 g/mol, XLogP of 21.18, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82-hentetracontayne is sourced from PubChem (CID 157340185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).