benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

C263H97F3N10O9S4 — CID 157467526

About benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 157467526) has the molecular formula C263H97F3N10O9S4 and a molecular weight of 3725.99 g/mol. Its IUPAC name is benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

• Compound Name: benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• PubChem CID: 157467526
• Molecular Formula: C263H97F3N10O9S4
• Molecular Weight: 3725.99 g/mol
• Exact Mass: 3722.63
• IUPAC Name: benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• SMILES: C.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#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(C2CCC2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(C2CN(C(=O)OCc3ccccc3)C2)c2cc3c(cnn3C(=O)OCc3ccccc3)cc2n1-c1ccc(F)cc1.CC(C)c1cc2cc3c(cnn3C(=O)OCc3ccccc3)cc2n1-c1ccc(F)cc1.O=C1CN(C(=O)OCc2ccccc2)C1.S=S=S=S
• InChI: InChI=1S/C165H4.C37H33FN4O4.C26H22FN3O2.C23H23FN2.C11H11NO3.CH4.S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-24(2)35-34(28-20-40(21-28)36(43)45-22-25-9-5-3-6-10-25)31-18-32-27(17-33(31)41(35)30-15-13-29(38)14-16-30)19-39-42(32)37(44)46-23-26-11-7-4-8-12-26;1-17(2)23-12-19-13-25-20(14-24(19)29(23)22-10-8-21(27)9-11-22)15-28-30(25)26(31)32-16-18-6-4-3-5-7-18;1-14(2)23-22(15-4-3-5-15)20-10-16-12-25-13-17(16)11-21(20)26(23)19-8-6-18(24)7-9-19;13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9;;1-3-4-2/h1H,2H3;3-19,24,28H,20-23H2,1-2H3;3-15,17H,16H2,1-2H3;6-11,13-15H,3-5,12H2,1-2H3;1-5H,6-8H2;1H4
• InChIKey: BUQPJCXPGPFOGD-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 191.54 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 289
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3725.99
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The IUPAC name of benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 157467526) is benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

What is the SMILES notation for benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The canonical SMILES for benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is C.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#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(C2CCC2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(C2CN(C(=O)OCc3ccccc3)C2)c2cc3c(cnn3C(=O)OCc3ccccc3)cc2n1-c1ccc(F)cc1.CC(C)c1cc2cc3c(cnn3C(=O)OCc3ccccc3)cc2n1-c1ccc(F)cc1.O=C1CN(C(=O)OCc2ccccc2)C1.S=S=S=S.

What is the InChIKey of benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The InChIKey is BUQPJCXPGPFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H4.C37H33FN4O4.C26H22FN3O2.C23H23FN2.C11H11NO3.CH4.S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-24(2)35-34(28-20-40(21-28)36(43)45-22-25-9-5-3-6-10-25)31-18-32-27(17-33(31)41(35)30-15-13-29(38)14-16-30)19-39-42(32)37(44)46-23-26-11-7-4-8-12-26;1-17(2)23-12-19-13-25-20(14-24(19)29(23)22-10-8-21(27)9-11-22)15-28-30(25)26(31)32-16-18-6-4-3-5-7-18;1-14(2)23-22(15-4-3-5-15)20-10-16-12-25-13-17(16)11-21(20)26(23)19-8-6-18(24)7-9-19;13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9;;1-3-4-2/h1H,2H3;3-19,24,28H,20-23H2,1-2H3;3-15,17H,16H2,1-2H3;6-11,13-15H,3-5,12H2,1-2H3;1-5H,6-8H2;1H4;.

What are the key properties of benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 3725.99 g/mol, XLogP of 23.43, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 5-(4-fluorophenyl)-7-(1-phenylmethoxycarbonylazetidin-3-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 5-(4-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;3-cyclobutyl-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;methane;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 157467526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).