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

C140H124N8O4Pt4S4-4 — CID 159560390

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

2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum (PubChem CID 159560390) has the molecular formula C140H124N8O4Pt4S4-4 and a molecular weight of 2891.16 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
• PubChem CID: 159560390
• Molecular Formula: C140H124N8O4Pt4S4-4
• Molecular Weight: 2891.16 g/mol
• Exact Mass: 2888.72
• IUPAC Name: 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(C(C)(C)C)c(-c2cccc3sc(-c4ccccc4O)nc23)[c-]c1-c1cc2ccccc2cn1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5O)nc34)c3ccccc3c2)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5ccccc5cn4)ccc3)cccc2s1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C40H41N2OS.2C36H33N2OS.C28H17N2OS.4Pt/c1-38(2,3)26-19-29(36-35(20-26)44-37(42-36)27-16-12-13-17-34(27)43)28-21-30(32(40(7,8)9)22-31(28)39(4,5)6)33-18-24-14-10-11-15-25(24)23-41-33;1-35(2,3)28-20-29(36(4,5)6)27(30-18-22-12-7-8-13-23(22)21-37-30)19-26(28)24-15-11-17-32-33(24)38-34(40-32)25-14-9-10-16-31(25)39;1-35(2,3)24-15-16-37-30(20-24)23-17-22-11-7-8-12-26(22)28(18-23)29-19-25(36(4,5)6)21-32-33(29)38-34(40-32)27-13-9-10-14-31(27)39;31-25-13-4-3-11-23(25)28-30-27-22(12-6-14-26(27)32-28)19-9-5-10-20(15-19)24-16-18-7-1-2-8-21(18)17-29-24;;;;/h10-20,22-23,43H,1-9H3;7-18,20-21,39H,1-6H3;7-17,19-21,39H,1-6H3;1-14,16-17,31H;;;;/q4*-1
• InChIKey: FZCVGWJQVVPSNM-UHFFFAOYSA-N
• XLogP: 38.48
• TPSA: 184.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2891.16
LogP ≤ 5	38.48
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-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?

The IUPAC name of 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum (CID 159560390) is 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(C(C)(C)C)c(-c2cccc3sc(-c4ccccc4O)nc23)[c-]c1-c1cc2ccccc2cn1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5O)nc34)c3ccccc3c2)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5ccccc5cn4)ccc3)cccc2s1.[Pt].[Pt].[Pt].[Pt].

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

The InChIKey is FZCVGWJQVVPSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41N2OS.2C36H33N2OS.C28H17N2OS.4Pt/c1-38(2,3)26-19-29(36-35(20-26)44-37(42-36)27-16-12-13-17-34(27)43)28-21-30(32(40(7,8)9)22-31(28)39(4,5)6)33-18-24-14-10-11-15-25(24)23-41-33;1-35(2,3)28-20-29(36(4,5)6)27(30-18-22-12-7-8-13-23(22)21-37-30)19-26(28)24-15-11-17-32-33(24)38-34(40-32)25-14-9-10-16-31(25)39;1-35(2,3)24-15-16-37-30(20-24)23-17-22-11-7-8-12-26(22)28(18-23)29-19-25(36(4,5)6)21-32-33(29)38-34(40-32)27-13-9-10-14-31(27)39;31-25-13-4-3-11-23(25)28-30-27-22(12-6-14-26(27)32-28)19-9-5-10-20(15-19)24-16-18-7-1-2-8-21(18)17-29-24;;;;/h10-20,22-23,43H,1-9H3;7-18,20-21,39H,1-6H3;7-17,19-21,39H,1-6H3;1-14,16-17,31H;;;;/q4*-1;;;;.

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

2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum has a molecular weight of 2891.16 g/mol, XLogP of 38.48, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum is sourced from PubChem (CID 159560390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).