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

C214H162N26O16S2Zn4-4 — CID 162113421

About 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

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 (PubChem CID 162113421) has the molecular formula C214H162N26O16S2Zn4-4 and a molecular weight of 3679.51 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162113421
• Molecular Formula: C214H162N26O16S2Zn4-4
• Molecular Weight: 3679.51 g/mol
• Exact Mass: 3670.93
• IUPAC Name: 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
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccc4ccccc4n3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2n1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccn1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccc5ccccc5c4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccc3ccccc3c2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncccn1.[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/C59H40N6O2S2.C55H40N6O2.C47H36N6O2.C45H34N8O2.4C2H4O2.4Zn/c1-34-17-9-13-25-40(34)56(66)64-54-50(58-62-44-31-29-36-19-11-15-27-42(36)52(44)68-58)48(38-21-5-3-6-22-38)46(60-54)33-47-49(39-23-7-4-8-24-39)51(55(61-47)65-57(67)41-26-14-10-18-35(41)2)59-63-45-32-30-37-20-12-16-28-43(37)53(45)69-59;1-34-17-9-13-25-40(34)54(62)60-52-50(44-31-29-36-19-11-15-27-42(36)56-44)48(38-21-5-3-6-22-38)46(58-52)33-47-49(39-23-7-4-8-24-39)51(45-32-30-37-20-12-16-28-43(37)57-45)53(59-47)61-55(63)41-26-14-10-18-35(41)2;1-30-17-9-11-23-34(30)46(54)52-44-42(36-25-13-15-27-48-36)40(32-19-5-3-6-20-32)38(50-44)29-39-41(33-21-7-4-8-22-33)43(37-26-14-16-28-49-37)45(51-39)53-47(55)35-24-12-10-18-31(35)2;1-28-15-9-11-21-32(28)44(54)52-42-38(40-46-23-13-24-47-40)36(30-17-5-3-6-18-30)34(50-42)27-35-37(31-19-7-4-8-20-31)39(41-48-25-14-26-49-41)43(51-35)53-45(55)33-22-12-10-16-29(33)2;4*1-2(3)4;;;;/h3-33H,1-2H3,(H3,60,61,62,63,64,65,66,67);3-33H,1-2H3,(H3,56,57,58,59,60,61,62,63);3-29H,1-2H3,(H3,48,49,50,51,52,53,54,55);3-27H,1-2H3,(H3,46,47,48,49,50,51,52,53,54,55);4*1H3,(H,3,4);;;;/p-4
• InChIKey: GOGGZEVKPOUWQY-UHFFFAOYSA-J
• XLogP: 43.91
• TPSA: 616.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3679.51
LogP ≤ 5	43.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccc4ccccc4n3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2n1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3ccccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccn1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccc5ccccc5c4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccc3ccccc3c2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3ncccn3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncccn1.[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of 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?

The InChIKey is GOGGZEVKPOUWQY-UHFFFAOYSA-J. The full InChI is InChI=1S/C59H40N6O2S2.C55H40N6O2.C47H36N6O2.C45H34N8O2.4C2H4O2.4Zn/c1-34-17-9-13-25-40(34)56(66)64-54-50(58-62-44-31-29-36-19-11-15-27-42(36)52(44)68-58)48(38-21-5-3-6-22-38)46(60-54)33-47-49(39-23-7-4-8-24-39)51(55(61-47)65-57(67)41-26-14-10-18-35(41)2)59-63-45-32-30-37-20-12-16-28-43(37)53(45)69-59;1-34-17-9-13-25-40(34)54(62)60-52-50(44-31-29-36-19-11-15-27-42(36)56-44)48(38-21-5-3-6-22-38)46(58-52)33-47-49(39-23-7-4-8-24-39)51(45-32-30-37-20-12-16-28-43(37)57-45)53(59-47)61-55(63)41-26-14-10-18-35(41)2;1-30-17-9-11-23-34(30)46(54)52-44-42(36-25-13-15-27-48-36)40(32-19-5-3-6-20-32)38(50-44)29-39-41(33-21-7-4-8-22-33)43(37-26-14-16-28-49-37)45(51-39)53-47(55)35-24-12-10-18-31(35)2;1-28-15-9-11-21-32(28)44(54)52-42-38(40-46-23-13-24-47-40)36(30-17-5-3-6-18-30)34(50-42)27-35-37(31-19-7-4-8-20-31)39(41-48-25-14-26-49-41)43(51-35)53-45(55)33-22-12-10-16-29(33)2;4*1-2(3)4;;;;/h3-33H,1-2H3,(H3,60,61,62,63,64,65,66,67);3-33H,1-2H3,(H3,56,57,58,59,60,61,62,63);3-29H,1-2H3,(H3,48,49,50,51,52,53,54,55);3-27H,1-2H3,(H3,46,47,48,49,50,51,52,53,54,55);4*1H3,(H,3,4);;;;/p-4.

What are the key properties of 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?

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 has a molecular weight of 3679.51 g/mol, XLogP of 43.91, 32 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162113421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).