acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc

C228H188N24O16S8Zn4-4 — CID 161026668

IUPACacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1cc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2cc(C)ccc2C)c1.Cc1ccc(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C)cc2C)c(C)c1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2C)C(c2ccccc2C)=C1c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C57H48N6O2S2.2C55H44N6O2S2.C53H40N6O2S2.4C2H4O2.4Zn/c1-30-25-34(5)46(35(6)26-30)48-42(58-52(62-54(64)38-19-11-9-17-32(38)3)50(48)56-60-40-21-13-15-23-44(40)66-56)29-43-49(47-36(7)27-31(2)28-37(47)8)51(57-61-41-22-14-16-24-45(41)67-57)53(59-43)63-55(65)39-20-12-10-18-33(39)4;1-30-23-25-36(34(5)27-30)46-42(56-50(60-52(62)38-17-9-7-15-32(38)3)48(46)54-58-40-19-11-13-21-44(40)64-54)29-43-47(37-26-24-31(2)28-35(37)6)49(55-59-41-20-12-14-22-45(41)65-55)51(57-43)61-53(63)39-18-10-8-16-33(39)4;1-30-23-25-34(5)38(27-30)46-42(56-50(60-52(62)36-17-9-7-15-32(36)3)48(46)54-58-40-19-11-13-21-44(40)64-54)29-43-47(39-28-31(2)24-26-35(39)6)49(55-59-41-20-12-14-22-45(41)65-55)51(57-43)61-53(63)37-18-10-8-16-33(37)4;1-30-17-5-9-21-34(30)44-40(54-48(58-50(60)36-23-11-7-19-32(36)3)46(44)52-56-38-25-13-15-27-42(38)62-52)29-41-45(35-22-10-6-18-31(35)2)47(53-57-39-26-14-16-28-43(39)63-53)49(55-41)59-51(61)37-24-12-8-20-33(37)4;4*1-2(3)4;;;;/h9-29H,1-8H3,(H3,58,59,60,61,62,63,64,65);2*7-29H,1-6H3,(H3,56,57,58,59,60,61,62,63);5-29H,1-4H3,(H3,54,55,56,57,58,59,60,61);4*1H3,(H,3,4);;;;/p-4
InChIKeyCXJISFQKTCKTNN-UHFFFAOYSA-J
MW4038.26 g/mol
LogP52.73
Rot. Bonds32

About acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc

acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc (PubChem CID 161026668) has the molecular formula C228H188N24O16S8Zn4-4 and a molecular weight of 4038.26 g/mol. Its IUPAC name is acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc.

Molecular Properties

Compound Nameacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc
PubChem CID161026668
Molecular FormulaC228H188N24O16S8Zn4-4
Molecular Weight4038.26 g/mol
Exact Mass4028.96
IUPAC Nameacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1cc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2cc(C)ccc2C)c1.Cc1ccc(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C)cc2C)c(C)c1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2C)C(c2ccccc2C)=C1c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C57H48N6O2S2.2C55H44N6O2S2.C53H40N6O2S2.4C2H4O2.4Zn/c1-30-25-34(5)46(35(6)26-30)48-42(58-52(62-54(64)38-19-11-9-17-32(38)3)50(48)56-60-40-21-13-15-23-44(40)66-56)29-43-49(47-36(7)27-31(2)28-37(47)8)51(57-61-41-22-14-16-24-45(41)67-57)53(59-43)63-55(65)39-20-12-10-18-33(39)4;1-30-23-25-36(34(5)27-30)46-42(56-50(60-52(62)38-17-9-7-15-32(38)3)48(46)54-58-40-19-11-13-21-44(40)64-54)29-43-47(37-26-24-31(2)28-35(37)6)49(55-59-41-20-12-14-22-45(41)65-55)51(57-43)61-53(63)39-18-10-8-16-33(39)4;1-30-23-25-34(5)38(27-30)46-42(56-50(60-52(62)36-17-9-7-15-32(36)3)48(46)54-58-40-19-11-13-21-44(40)64-54)29-43-47(39-28-31(2)24-26-35(39)6)49(55-59-41-20-12-14-22-45(41)65-55)51(57-43)61-53(63)37-18-10-8-16-33(37)4;1-30-17-5-9-21-34(30)44-40(54-48(58-50(60)36-23-11-7-19-32(36)3)46(44)52-56-38-25-13-15-27-42(38)62-52)29-41-45(35-22-10-6-18-31(35)2)47(53-57-39-26-14-16-28-43(39)63-53)49(55-41)59-51(61)37-24-12-8-20-33(37)4;4*1-2(3)4;;;;/h9-29H,1-8H3,(H3,58,59,60,61,62,63,64,65);2*7-29H,1-6H3,(H3,56,57,58,59,60,61,62,63);5-29H,1-4H3,(H3,54,55,56,57,58,59,60,61);4*1H3,(H,3,4);;;;/p-4
InChIKeyCXJISFQKTCKTNN-UHFFFAOYSA-J
XLogP52.73
TPSA590.96 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004038.26
LogP ≤ 552.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
The IUPAC name of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc (CID 161026668) is acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc.
What is the SMILES notation for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
The canonical SMILES for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1cc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2cc(C)ccc2C)c1.Cc1ccc(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C)cc2C)c(C)c1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2C)C(c2ccccc2C)=C1c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
The InChIKey is CXJISFQKTCKTNN-UHFFFAOYSA-J. The full InChI is InChI=1S/C57H48N6O2S2.2C55H44N6O2S2.C53H40N6O2S2.4C2H4O2.4Zn/c1-30-25-34(5)46(35(6)26-30)48-42(58-52(62-54(64)38-19-11-9-17-32(38)3)50(48)56-60-40-21-13-15-23-44(40)66-56)29-43-49(47-36(7)27-31(2)28-37(47)8)51(57-61-41-22-14-16-24-45(41)67-57)53(59-43)63-55(65)39-20-12-10-18-33(39)4;1-30-23-25-36(34(5)27-30)46-42(56-50(60-52(62)38-17-9-7-15-32(38)3)48(46)54-58-40-19-11-13-21-44(40)64-54)29-43-47(37-26-24-31(2)28-35(37)6)49(55-59-41-20-12-14-22-45(41)65-55)51(57-43)61-53(63)39-18-10-8-16-33(39)4;1-30-23-25-34(5)38(27-30)46-42(56-50(60-52(62)36-17-9-7-15-32(36)3)48(46)54-58-40-19-11-13-21-44(40)64-54)29-43-47(39-28-31(2)24-26-35(39)6)49(55-59-41-20-12-14-22-45(41)65-55)51(57-43)61-53(63)37-18-10-8-16-33(37)4;1-30-17-5-9-21-34(30)44-40(54-48(58-50(60)36-23-11-7-19-32(36)3)46(44)52-56-38-25-13-15-27-42(38)62-52)29-41-45(35-22-10-6-18-31(35)2)47(53-57-39-26-14-16-28-43(39)63-53)49(55-41)59-51(61)37-24-12-8-20-33(37)4;4*1-2(3)4;;;;/h9-29H,1-8H3,(H3,58,59,60,61,62,63,64,65);2*7-29H,1-6H3,(H3,56,57,58,59,60,61,62,63);5-29H,1-4H3,(H3,54,55,56,57,58,59,60,61);4*1H3,(H,3,4);;;;/p-4.
What are the key properties of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc has a molecular weight of 4038.26 g/mol, XLogP of 52.73, 32 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(2,5-dimethylphenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]methyl]-4-(2,5-dimethylphenyl)pyrrol-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-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-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-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]methyl]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc is sourced from PubChem (CID 161026668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).