2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum

C127H113N11O5Pt4S5-4 — CID 157467243

About 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum

2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum (PubChem CID 157467243) has the molecular formula C127H113N11O5Pt4S5-4 and a molecular weight of 2814.02 g/mol. Its IUPAC name is 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
• PubChem CID: 157467243
• Molecular Formula: C127H113N11O5Pt4S5-4
• Molecular Weight: 2814.02 g/mol
• Exact Mass: 2811.61
• IUPAC Name: 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccc[n-]4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3s2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3s2)c1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C32H32N3OS.C32H25N2O2S.C32H25N2OS2.C31H31N4OS.4Pt/c1-31(2,3)21-17-20(29(36)24(18-21)32(4,5)6)19-34-26-13-8-7-11-23(26)30-35-28-22(25-14-10-16-33-25)12-9-15-27(28)37-30;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-14-29(30)37-31)28-18-20-9-4-7-13-27(20)36-28;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-14-28(30)37-31)29-18-20-9-4-7-13-27(20)36-29;1-30(2,3)20-16-19(28(36)23(17-20)31(4,5)6)18-32-24-12-8-7-10-22(24)29-34-27-21(25-14-15-33-35-25)11-9-13-26(27)37-29;;;;/h7-19H,1-6H3,(H,34,35,36);2*4-17,19,35H,1-3H3;7-18H,1-6H3,(H-,32,33,34,35,36);;;;/q4*-1;;;;/b;2*33-19+
• InChIKey: NQMZICVBPFGZAE-VXGRAPEISA-N
• XLogP: 34.99
• TPSA: 236.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2814.02
LogP ≤ 5	34.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The IUPAC name of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum (CID 157467243) is 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum.

What is the SMILES notation for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The canonical SMILES for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccc[n-]4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3s2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3s2)c1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The InChIKey is NQMZICVBPFGZAE-VXGRAPEISA-N. The full InChI is InChI=1S/C32H32N3OS.C32H25N2O2S.C32H25N2OS2.C31H31N4OS.4Pt/c1-31(2,3)21-17-20(29(36)24(18-21)32(4,5)6)19-34-26-13-8-7-11-23(26)30-35-28-22(25-14-10-16-33-25)12-9-15-27(28)37-30;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-14-29(30)37-31)28-18-20-9-4-7-13-27(20)36-28;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-14-28(30)37-31)29-18-20-9-4-7-13-27(20)36-29;1-30(2,3)20-16-19(28(36)23(17-20)31(4,5)6)18-32-24-12-8-7-10-22(24)29-34-27-21(25-14-15-33-35-25)11-9-13-26(27)37-29;;;;/h7-19H,1-6H3,(H,34,35,36);2*4-17,19,35H,1-3H3;7-18H,1-6H3,(H-,32,33,34,35,36);;;;/q4*-1;;;;/b;2*33-19+;;;;;.

What are the key properties of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum?

2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum has a molecular weight of 2814.02 g/mol, XLogP of 34.99, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).