acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc

C200H144N28O16S2Zn4-4 — CID 158255120

About acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc

acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc (PubChem CID 158255120) has the molecular formula C200H144N28O16S2Zn4-4 and a molecular weight of 3521.23 g/mol. Its IUPAC name is acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc.

Molecular Properties

• Compound Name: acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc
• PubChem CID: 158255120
• Molecular Formula: C200H144N28O16S2Zn4-4
• Molecular Weight: 3521.23 g/mol
• Exact Mass: 3512.79
• IUPAC Name: acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cn1c(C2=C(c3ccccc3)C(=Nc3[n-]c(NC(=O)c4ccccc4)c(-c4nc5ccccc5n4C)c3-c3ccccc3)N=C2NC(=O)c2ccccc2)nc2ccccc21.O=C(NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccc1)c1ccccc1.O=C(NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1)c1ccccc1.[C-]#[N+]c1ccc(-c2c(NC(=O)c3ccccc3)[n-]c(N=C3N=C(NC(=O)c4ccccc4)C(c4ccc(C#N)cc4)=C3c3ccccc3)c2-c2ccccc2)cc1.[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/C50H37N9O2.C48H31N7O2S2.C48H31N7O2.C46H33N5O2.4C2H4O2.4Zn/c1-58-37-29-17-15-27-35(37)51-47(58)41-39(31-19-7-3-8-20-31)43(54-45(41)56-49(60)33-23-11-5-12-24-33)53-44-40(32-21-9-4-10-22-32)42(48-52-36-28-16-18-30-38(36)59(48)2)46(55-44)57-50(61)34-25-13-6-14-26-34;56-45(31-21-9-3-10-22-31)54-43-39(47-49-33-25-13-15-27-35(33)58-47)37(29-17-5-1-6-18-29)41(52-43)51-42-38(30-19-7-2-8-20-30)40(48-50-34-26-14-16-28-36(34)59-48)44(53-42)55-46(57)32-23-11-4-12-24-32;1-50-38-28-26-35(27-29-38)42-40(33-16-8-3-9-17-33)44(53-46(42)55-48(57)37-20-12-5-13-21-37)51-43-39(32-14-6-2-7-15-32)41(34-24-22-31(30-49)23-25-34)45(52-43)54-47(56)36-18-10-4-11-19-36;52-45(35-27-15-5-16-28-35)50-43-39(33-23-11-3-12-24-33)37(31-19-7-1-8-20-31)41(48-43)47-42-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)44(49-42)51-46(53)36-29-17-6-18-30-36;4*1-2(3)4;;;;/h3-30H,1-2H3,(H3,51,52,53,54,55,56,57,60,61);1-28H,(H3,49,50,51,52,53,54,55,56,57);2-29H,(H3,51,52,53,54,55,56,57);1-30H,(H3,47,48,49,50,51,52,53);4*1H3,(H,3,4);;;;/p-4
• InChIKey: PVUBGIYGRLZHTH-UHFFFAOYSA-J
• XLogP: 40.62
• TPSA: 626.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3521.23
LogP ≤ 5	40.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc?

The IUPAC name of acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc (CID 158255120) is acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc.

What is the SMILES notation for acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc?

The canonical SMILES for acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cn1c(C2=C(c3ccccc3)C(=Nc3[n-]c(NC(=O)c4ccccc4)c(-c4nc5ccccc5n4C)c3-c3ccccc3)N=C2NC(=O)c2ccccc2)nc2ccccc21.O=C(NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C1c1ccccc1)c1ccccc1.O=C(NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1)c1ccccc1.[C-]#[N+]c1ccc(-c2c(NC(=O)c3ccccc3)[n-]c(N=C3N=C(NC(=O)c4ccccc4)C(c4ccc(C#N)cc4)=C3c3ccccc3)c2-c2ccccc2)cc1.[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc?

The InChIKey is PVUBGIYGRLZHTH-UHFFFAOYSA-J. The full InChI is InChI=1S/C50H37N9O2.C48H31N7O2S2.C48H31N7O2.C46H33N5O2.4C2H4O2.4Zn/c1-58-37-29-17-15-27-35(37)51-47(58)41-39(31-19-7-3-8-20-31)43(54-45(41)56-49(60)33-23-11-5-12-24-33)53-44-40(32-21-9-4-10-22-32)42(48-52-36-28-16-18-30-38(36)59(48)2)46(55-44)57-50(61)34-25-13-6-14-26-34;56-45(31-21-9-3-10-22-31)54-43-39(47-49-33-25-13-15-27-35(33)58-47)37(29-17-5-1-6-18-29)41(52-43)51-42-38(30-19-7-2-8-20-30)40(48-50-34-26-14-16-28-36(34)59-48)44(53-42)55-46(57)32-23-11-4-12-24-32;1-50-38-28-26-35(27-29-38)42-40(33-16-8-3-9-17-33)44(53-46(42)55-48(57)37-20-12-5-13-21-37)51-43-39(32-14-6-2-7-15-32)41(34-24-22-31(30-49)23-25-34)45(52-43)54-47(56)36-18-10-4-11-19-36;52-45(35-27-15-5-16-28-35)50-43-39(33-23-11-3-12-24-33)37(31-19-7-1-8-20-31)41(48-43)47-42-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)44(49-42)51-46(53)36-29-17-6-18-30-36;4*1-2(3)4;;;;/h3-30H,1-2H3,(H3,51,52,53,54,55,56,57,60,61);1-28H,(H3,49,50,51,52,53,54,55,56,57);2-29H,(H3,51,52,53,54,55,56,57);1-30H,(H3,47,48,49,50,51,52,53);4*1H3,(H,3,4);;;;/p-4.

What are the key properties of acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc?

acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc has a molecular weight of 3521.23 g/mol, XLogP of 40.62, 32 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-[5-[[5-benzamido-4-(1,3-benzothiazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(4-cyanophenyl)-3-phenylpyrrol-2-ylidene]amino]-3-(4-isocyanophenyl)-4-phenylpyrrol-1-id-2-yl]benzamide;N-[5-[(5-benzamido-3,4-diphenylpyrrol-2-ylidene)amino]-3,4-diphenylpyrrol-1-id-2-yl]benzamide;N-[5-[[5-benzamido-4-(1-methylbenzimidazol-2-yl)-3-phenylpyrrol-2-ylidene]amino]-3-(1-methylbenzimidazol-2-yl)-4-phenylpyrrol-1-id-2-yl]benzamide;zinc is sourced from PubChem (CID 158255120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).