acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc

C238H184N41O20S2Zn5-5 — CID 157218670

IUPACacetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccc4ccccc4n3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2n1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccn1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncccn1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nccs3)c2-c2ccccc2)C(c2ccccc2)=C1c1nccs1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncncn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncncn1.[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C54H39N7O2.C46H35N7O2.C44H33N9O2.C42H31N11O2.C42H31N7O2S2.5C2H4O2.5Zn/c1-33-17-9-13-25-39(33)53(62)60-51-47(43-31-29-35-19-11-15-27-41(35)55-43)45(37-21-5-3-6-22-37)49(58-51)57-50-46(38-23-7-4-8-24-38)48(44-32-30-36-20-12-16-28-42(36)56-44)52(59-50)61-54(63)40-26-14-10-18-34(40)2;1-29-17-9-11-23-33(29)45(54)52-43-39(35-25-13-15-27-47-35)37(31-19-5-3-6-20-31)41(50-43)49-42-38(32-21-7-4-8-22-32)40(36-26-14-16-28-48-36)44(51-42)53-46(55)34-24-12-10-18-30(34)2;1-27-15-9-11-21-31(27)43(54)52-41-35(37-45-23-13-24-46-37)33(29-17-5-3-6-18-29)39(50-41)49-40-34(30-19-7-4-8-20-30)36(38-47-25-14-26-48-38)42(51-40)53-44(55)32-22-12-10-16-28(32)2;1-25-13-9-11-19-29(25)41(54)52-39-33(35-45-21-43-22-46-35)31(27-15-5-3-6-16-27)37(50-39)49-38-32(28-17-7-4-8-18-28)34(36-47-23-44-24-48-36)40(51-38)53-42(55)30-20-12-10-14-26(30)2;1-25-13-9-11-19-29(25)39(50)48-37-33(41-43-21-23-52-41)31(27-15-5-3-6-16-27)35(46-37)45-36-32(28-17-7-4-8-18-28)34(42-44-22-24-53-42)38(47-36)49-40(51)30-20-12-10-14-26(30)2;5*1-2(3)4;;;;;/h3-32H,1-2H3,(H3,55,56,57,58,59,60,61,62,63);3-28H,1-2H3,(H3,47,48,49,50,51,52,53,54,55);3-26H,1-2H3,(H3,45,46,47,48,49,50,51,52,53,54,55);3-24H,1-2H3,(H3,43,44,45,46,47,48,49,50,51,52,53,54,55);3-24H,1-2H3,(H3,43,44,45,46,47,48,49,50,51);5*1H3,(H,3,4);;;;;/p-5
InChIKeyMNXAIYIMLJSPQB-UHFFFAOYSA-I
MW4329.44 g/mol
LogP44.84
Rot. Bonds40

About acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc

acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc (PubChem CID 157218670) has the molecular formula C238H184N41O20S2Zn5-5 and a molecular weight of 4329.44 g/mol. Its IUPAC name is acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc.

Molecular Properties

Compound Nameacetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc
PubChem CID157218670
Molecular FormulaC238H184N41O20S2Zn5-5
Molecular Weight4329.44 g/mol
Exact Mass4319.06
IUPAC Nameacetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccc4ccccc4n3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2n1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccn1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncccn1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nccs3)c2-c2ccccc2)C(c2ccccc2)=C1c1nccs1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncncn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncncn1.[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C54H39N7O2.C46H35N7O2.C44H33N9O2.C42H31N11O2.C42H31N7O2S2.5C2H4O2.5Zn/c1-33-17-9-13-25-39(33)53(62)60-51-47(43-31-29-35-19-11-15-27-41(35)55-43)45(37-21-5-3-6-22-37)49(58-51)57-50-46(38-23-7-4-8-24-38)48(44-32-30-36-20-12-16-28-42(36)56-44)52(59-50)61-54(63)40-26-14-10-18-34(40)2;1-29-17-9-11-23-33(29)45(54)52-43-39(35-25-13-15-27-47-35)37(31-19-5-3-6-20-31)41(50-43)49-42-38(32-21-7-4-8-22-32)40(36-26-14-16-28-48-36)44(51-42)53-46(55)34-24-12-10-18-30(34)2;1-27-15-9-11-21-31(27)43(54)52-41-35(37-45-23-13-24-46-37)33(29-17-5-3-6-18-29)39(50-41)49-40-34(30-19-7-4-8-20-30)36(38-47-25-14-26-48-38)42(51-40)53-44(55)32-22-12-10-16-28(32)2;1-25-13-9-11-19-29(25)41(54)52-39-33(35-45-21-43-22-46-35)31(27-15-5-3-6-16-27)37(50-39)49-38-32(28-17-7-4-8-18-28)34(36-47-23-44-24-48-36)40(51-38)53-42(55)30-20-12-10-14-26(30)2;1-25-13-9-11-19-29(25)39(50)48-37-33(41-43-21-23-52-41)31(27-15-5-3-6-16-27)35(46-37)45-36-32(28-17-7-4-8-18-28)34(42-44-22-24-53-42)38(47-36)49-40(51)30-20-12-10-14-26(30)2;5*1-2(3)4;;;;;/h3-32H,1-2H3,(H3,55,56,57,58,59,60,61,62,63);3-28H,1-2H3,(H3,47,48,49,50,51,52,53,54,55);3-26H,1-2H3,(H3,45,46,47,48,49,50,51,52,53,54,55);3-24H,1-2H3,(H3,43,44,45,46,47,48,49,50,51,52,53,54,55);3-24H,1-2H3,(H3,43,44,45,46,47,48,49,50,51);5*1H3,(H,3,4);;;;;/p-5
InChIKeyMNXAIYIMLJSPQB-UHFFFAOYSA-I
XLogP44.84
TPSA877.84 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004329.44
LogP ≤ 544.84
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;5-propan-2-yl-1,3-dihydroindol-2-one;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-(4-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;2-(4-propan-2-yl-2-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 157959681
6-(2-Cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 158830237
CID 158910028
CID 158910028
6-(2-Cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 159029565
3-[2-[2-[(2-amino-1,3-thiazol-4-yl)amino]quinolin-4-yl]ethynyl]-N-(3-ethylpentyl)-4-methylbenzamide;3-[2-[2-[(2-tert-butyl-1,3-thiazol-4-yl)amino]quinolin-4-yl]ethynyl]-N'-hydroxybenzenecarboximidamide;3-[2-[2-(4-fluoroanilino)quinolin-4-yl]ethynyl]-N'-hydroxybenzenecarboximidamide;N'-hydroxy-3-[2-[2-(pyrimidin-2-ylamino)quinolin-4-yl]ethynyl]benzenecarboximidamide
CID 159123229
acetic acid;N-[3-benzo[g][1,3]benzothiazol-2-yl-5-[[4-benzo[g][1,3]benzothiazol-2-yl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]amino]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;bis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]amino]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);2-methyl-N-[3-(1-methylbenzimidazol-2-yl)-5-[[4-(1-methylbenzimidazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]amino]-4-phenylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinoxalin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinoxalin-2-ylpyrrol-1-id-2-yl]benzamide;zinc
CID 159792029
acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-naphthalen-1-ylpyrrol-2-ylidene]methyl]-4-naphthalen-1-ylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-pyridin-2-ylpyrrol-2-ylidene]methyl]-4-pyridin-2-ylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-pyrimidin-2-ylpyrrol-2-ylidene]methyl]-4-pyrimidin-2-ylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-methyl-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-methylpyrrol-1-id-2-yl]-2-methylbenzamide;zinc
CID 160423374
acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-cyclohexyl-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-cyclohexylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-propan-2-ylpyrrol-2-ylidene]amino]-4-propan-2-ylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-pyridin-2-ylpyrrol-2-ylidene]amino]-4-pyridin-2-ylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-pyrimidin-2-ylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-methyl-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-methylpyrrol-1-id-2-yl]-2-methylbenzamide;zinc
CID 161359307
acetic acid;N-[3-benzo[g][1,3]benzothiazol-2-yl-5-[[4-benzo[g][1,3]benzothiazol-2-yl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]methyl]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]methyl]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]methyl]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;zinc
CID 162113421

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc?
The IUPAC name of acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc (CID 157218670) is acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc.
What is the SMILES notation for acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc?
The canonical SMILES for acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccc4ccccc4n3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2n1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccn1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncccn1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nccs3)c2-c2ccccc2)C(c2ccccc2)=C1c1nccs1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncncn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncncn1.[Zn].[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc?
The InChIKey is MNXAIYIMLJSPQB-UHFFFAOYSA-I. The full InChI is InChI=1S/C54H39N7O2.C46H35N7O2.C44H33N9O2.C42H31N11O2.C42H31N7O2S2.5C2H4O2.5Zn/c1-33-17-9-13-25-39(33)53(62)60-51-47(43-31-29-35-19-11-15-27-41(35)55-43)45(37-21-5-3-6-22-37)49(58-51)57-50-46(38-23-7-4-8-24-38)48(44-32-30-36-20-12-16-28-42(36)56-44)52(59-50)61-54(63)40-26-14-10-18-34(40)2;1-29-17-9-11-23-33(29)45(54)52-43-39(35-25-13-15-27-47-35)37(31-19-5-3-6-20-31)41(50-43)49-42-38(32-21-7-4-8-22-32)40(36-26-14-16-28-48-36)44(51-42)53-46(55)34-24-12-10-18-30(34)2;1-27-15-9-11-21-31(27)43(54)52-41-35(37-45-23-13-24-46-37)33(29-17-5-3-6-18-29)39(50-41)49-40-34(30-19-7-4-8-20-30)36(38-47-25-14-26-48-38)42(51-40)53-44(55)32-22-12-10-16-28(32)2;1-25-13-9-11-19-29(25)41(54)52-39-33(35-45-21-43-22-46-35)31(27-15-5-3-6-16-27)37(50-39)49-38-32(28-17-7-4-8-18-28)34(36-47-23-44-24-48-36)40(51-38)53-42(55)30-20-12-10-14-26(30)2;1-25-13-9-11-19-29(25)39(50)48-37-33(41-43-21-23-52-41)31(27-15-5-3-6-16-27)35(46-37)45-36-32(28-17-7-4-8-18-28)34(42-44-22-24-53-42)38(47-36)49-40(51)30-20-12-10-14-26(30)2;5*1-2(3)4;;;;;/h3-32H,1-2H3,(H3,55,56,57,58,59,60,61,62,63);3-28H,1-2H3,(H3,47,48,49,50,51,52,53,54,55);3-26H,1-2H3,(H3,45,46,47,48,49,50,51,52,53,54,55);3-24H,1-2H3,(H3,43,44,45,46,47,48,49,50,51,52,53,54,55);3-24H,1-2H3,(H3,43,44,45,46,47,48,49,50,51);5*1H3,(H,3,4);;;;;/p-5.
What are the key properties of acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc?
acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc has a molecular weight of 4329.44 g/mol, XLogP of 44.84, 40 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyridin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyridin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-pyrimidin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-pyrimidin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-quinolin-2-ylpyrrol-2-ylidene]amino]-4-phenyl-3-quinolin-2-ylpyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3-thiazol-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3-thiazol-2-yl)pyrrol-1-id-2-yl]benzamide;2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-3-phenyl-4-(1,3,5-triazin-2-yl)pyrrol-2-ylidene]amino]-4-phenyl-3-(1,3,5-triazin-2-yl)pyrrol-1-id-2-yl]benzamide;zinc is sourced from PubChem (CID 157218670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).