dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc

C242H194N30O14S8Zn4-2 — CID 157250354

About dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc

dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc (PubChem CID 157250354) has the molecular formula C242H194N30O14S8Zn4-2 and a molecular weight of 4264.51 g/mol. Its IUPAC name is dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc.

Molecular Properties

• Compound Name: dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc
• PubChem CID: 157250354
• Molecular Formula: C242H194N30O14S8Zn4-2
• Molecular Weight: 4264.51 g/mol
• Exact Mass: 4255.03
• IUPAC Name: dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc
• SMILES: C=C(C)C(=O)O.CC1C(=O)[N-]C(=O)N1Cc1ccccc1.CCCCCCCCCCCCCCCCCC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.[C-]#[N+]c1[n-]cnc1C#N.[Zn+2].[Zn+2].[Zn].[Zn]
• InChI: InChI=1S/4C51H36N6O2S2.C18H36O2.C11H12N2O2.C5HN4.C4H6O2.4Zn/c4*1-30-17-9-11-23-34(30)48(58)56-46-44(50-54-36-25-13-15-27-40(36)60-50)42(32-19-5-3-6-20-32)38(52-46)29-39-43(33-21-7-4-8-22-33)45(51-55-37-26-14-16-28-41(37)61-51)47(53-39)57-49(59)35-24-12-10-18-31(35)2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9;1-7-5-4(2-6)8-3-9-5;1-3(2)4(5)6;;;;/h4*3-29H,1-2H3,(H3,52,53,54,55,56,57,58,59);2-17H2,1H3,(H,19,20);2-6,8H,7H2,1H3,(H,12,14,15);3H;1H2,2H3,(H,5,6);;;;/q;;;;;;-1;;;;2*+2/p-5
• InChIKey: QHMDFJKURDTDIR-UHFFFAOYSA-I
• XLogP: 56.78
• TPSA: 622.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 51
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4264.51
LogP ≤ 5	56.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc?

The IUPAC name of dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc (CID 157250354) is dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc.

What is the SMILES notation for dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc?

The canonical SMILES for dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc is C=C(C)C(=O)O.CC1C(=O)[N-]C(=O)N1Cc1ccccc1.CCCCCCCCCCCCCCCCCC(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.[C-]#[N+]c1[n-]cnc1C#N.[Zn+2].[Zn+2].[Zn].[Zn].

What is the InChIKey of dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc?

The InChIKey is QHMDFJKURDTDIR-UHFFFAOYSA-I. The full InChI is InChI=1S/4C51H36N6O2S2.C18H36O2.C11H12N2O2.C5HN4.C4H6O2.4Zn/c4*1-30-17-9-11-23-34(30)48(58)56-46-44(50-54-36-25-13-15-27-40(36)60-50)42(32-19-5-3-6-20-32)38(52-46)29-39-43(33-21-7-4-8-22-33)45(51-55-37-26-14-16-28-41(37)61-51)47(53-39)57-49(59)35-24-12-10-18-31(35)2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9;1-7-5-4(2-6)8-3-9-5;1-3(2)4(5)6;;;;/h4*3-29H,1-2H3,(H3,52,53,54,55,56,57,58,59);2-17H2,1H3,(H,19,20);2-6,8H,7H2,1H3,(H,12,14,15);3H;1H2,2H3,(H,5,6);;;;/q;;;;;;-1;;;;2*+2/p-5.

What are the key properties of dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc?

dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc has a molecular weight of 4264.51 g/mol, XLogP of 56.78, 51 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;tetrakis(N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide);1-benzyl-5-methylimidazolidin-3-ide-2,4-dione;5-isocyanoimidazol-1-ide-4-carbonitrile;2-methylprop-2-enoic acid;octadecanoic acid;zinc is sourced from PubChem (CID 157250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).