N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))

C127H109N11OPt4S5 — CID 157071985

About N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))

N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)) (PubChem CID 157071985) has the molecular formula C127H109N11OPt4S5 and a molecular weight of 2745.99 g/mol. Its IUPAC name is N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)).

Molecular Properties

• Compound Name: N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))
• PubChem CID: 157071985
• Molecular Formula: C127H109N11OPt4S5
• Molecular Weight: 2745.99 g/mol
• Exact Mass: 2743.60
• IUPAC Name: N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))
• SMILES: CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4ccc[n-]4)cccc3s2)cc(C(C)(C)C)c1.CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cccc3s2)cc(C(C)(C)C)c1.CC(C)(C)c1cc[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3s2)c1.CC(C)(C)c1cc[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3s2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C32H31N3S.C32H24N2OS.C32H24N2S2.C31H30N4S.4Pt/c1-31(2,3)22-17-21(18-23(19-22)32(4,5)6)20-34-27-13-8-7-11-25(27)30-35-29-24(26-14-10-16-33-26)12-9-15-28(29)36-30;1-32(2,3)23-12-8-10-21(18-23)20-33-26-15-6-5-13-24(26)31-34-30-25(14-9-17-29(30)36-31)28-19-22-11-4-7-16-27(22)35-28;1-32(2,3)23-12-8-10-21(18-23)20-33-26-15-6-5-13-24(26)31-34-30-25(14-9-17-28(30)36-31)29-19-22-11-4-7-16-27(22)35-29;1-30(2,3)21-16-20(17-22(18-21)31(4,5)6)19-32-25-12-8-7-10-24(25)29-34-28-23(26-14-15-33-35-26)11-9-13-27(28)36-29;;;;/h7-17,19-20H,1-6H3;2*4-9,11-18,20H,1-3H3;7-16,18-19H,1-6H3;;;;/q4*-2;4*+2/b34-20+;2*33-20+;32-19+
• InChIKey: FKXHKSKCFYKPSJ-VANOOGHPSA-N
• XLogP: 35.37
• TPSA: 155.23 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2745.99
LogP ≤ 5	35.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))?

The IUPAC name of N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)) (CID 157071985) is N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)).

What is the SMILES notation for N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))?

The canonical SMILES for N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)) is CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4ccc[n-]4)cccc3s2)cc(C(C)(C)C)c1.CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cccc3s2)cc(C(C)(C)C)c1.CC(C)(C)c1cc[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3s2)c1.CC(C)(C)c1cc[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3s2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))?

The InChIKey is FKXHKSKCFYKPSJ-VANOOGHPSA-N. The full InChI is InChI=1S/C32H31N3S.C32H24N2OS.C32H24N2S2.C31H30N4S.4Pt/c1-31(2,3)22-17-21(18-23(19-22)32(4,5)6)20-34-27-13-8-7-11-25(27)30-35-29-24(26-14-10-16-33-26)12-9-15-28(29)36-30;1-32(2,3)23-12-8-10-21(18-23)20-33-26-15-6-5-13-24(26)31-34-30-25(14-9-17-29(30)36-31)28-19-22-11-4-7-16-27(22)35-28;1-32(2,3)23-12-8-10-21(18-23)20-33-26-15-6-5-13-24(26)31-34-30-25(14-9-17-28(30)36-31)29-19-22-11-4-7-16-27(22)35-29;1-30(2,3)21-16-20(17-22(18-21)31(4,5)6)19-32-25-12-8-7-10-24(25)29-34-28-23(26-14-15-33-35-26)11-9-13-27(28)36-29;;;;/h7-17,19-20H,1-6H3;2*4-9,11-18,20H,1-3H3;7-16,18-19H,1-6H3;;;;/q4*-2;4*+2/b34-20+;2*33-20+;32-19+;;;;.

What are the key properties of N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))?

N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)) has a molecular weight of 2745.99 g/mol, XLogP of 35.37, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+)) is sourced from PubChem (CID 157071985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).