2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

C136H108N10O4Pt4S2-4 — CID 159721033

About 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 159721033) has the molecular formula C136H108N10O4Pt4S2-4 and a molecular weight of 2790.87 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 159721033
• Molecular Formula: C136H108N10O4Pt4S2-4
• Molecular Weight: 2790.87 g/mol
• Exact Mass: 2788.66
• IUPAC Name: 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)cc3ccccc23)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C36H27N2OS.2C34H28N3O.C32H25N2OS.4Pt/c1-36(2,3)26-19-30(34-33(20-26)40-35(38-34)28-14-8-9-15-32(28)39)29-17-25(16-23-11-6-7-13-27(23)29)31-18-22-10-4-5-12-24(22)21-37-31;1-34(2,3)25-19-20-35-29(22-25)24-12-9-11-23(21-24)27-16-10-17-30-32(27)36-33(28-15-7-8-18-31(28)38)37(30)26-13-5-4-6-14-26;1-34(2,3)25-21-28(23-12-11-13-24(20-23)29-17-9-10-19-35-29)32-30(22-25)37(26-14-5-4-6-15-26)33(36-32)27-16-7-8-18-31(27)38;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;;;;/h4-16,18-21,39H,1-3H3;4-20,22,38H,1-3H3;4-19,21-22,38H,1-3H3;4-16,18-19,35H,1-3H3;;;;/q4*-1
• InChIKey: TTWAFUJBFKSSAN-UHFFFAOYSA-N
• XLogP: 34.89
• TPSA: 193.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2790.87
LogP ≤ 5	34.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 159721033) is 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)cc3ccccc23)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is TTWAFUJBFKSSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N2OS.2C34H28N3O.C32H25N2OS.4Pt/c1-36(2,3)26-19-30(34-33(20-26)40-35(38-34)28-14-8-9-15-32(28)39)29-17-25(16-23-11-6-7-13-27(23)29)31-18-22-10-4-5-12-24(22)21-37-31;1-34(2,3)25-19-20-35-29(22-25)24-12-9-11-23(21-24)27-16-10-17-30-32(27)36-33(28-15-7-8-18-31(28)38)37(30)26-13-5-4-6-14-26;1-34(2,3)25-21-28(23-12-11-13-24(20-23)29-17-9-10-19-35-29)32-30(22-25)37(26-14-5-4-6-15-26)33(36-32)27-16-7-8-18-31(27)38;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;;;;/h4-16,18-21,39H,1-3H3;4-20,22,38H,1-3H3;4-19,21-22,38H,1-3H3;4-16,18-19,35H,1-3H3;;;;/q4*-1;;;;.

What are the key properties of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 2790.87 g/mol, XLogP of 34.89, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 159721033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).