2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum

C124H125N6O3Pt3S3-3 — CID 159605088

About 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum

2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum (PubChem CID 159605088) has the molecular formula C124H125N6O3Pt3S3-3 and a molecular weight of 2428.84 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
• PubChem CID: 159605088
• Molecular Formula: C124H125N6O3Pt3S3-3
• Molecular Weight: 2428.84 g/mol
• Exact Mass: 2426.79
• IUPAC Name: 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)cc(C(C)(C)C)c3)c2)cc(C(C)C)c1.CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)C)c1.CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)cc(C(C)(C)C)c3)c2)cc(C(C)C)c1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C44H47N2OS.2C40H39N2OS.3Pt/c1-26(2)29-17-30(27(3)4)19-31(18-29)28-15-16-45-38(23-28)33-20-32(21-34(22-33)43(5,6)7)37-24-35(44(8,9)10)25-40-41(37)46-42(48-40)36-13-11-12-14-39(36)47;1-24(2)29-18-30(25(3)4)20-31(19-29)26-15-16-41-35(21-26)28-12-10-11-27(17-28)34-22-32(40(5,6)7)23-37-38(34)42-39(44-37)33-13-8-9-14-36(33)43;1-24(2)27-17-28(25(3)4)19-29(18-27)26-15-16-41-35(23-26)31-20-30(21-32(22-31)40(5,6)7)33-12-10-14-37-38(33)42-39(44-37)34-11-8-9-13-36(34)43;;;/h11-19,21-27,47H,1-10H3;8-16,18-25,43H,1-7H3;8-19,21-25,43H,1-7H3;;;/q3*-1
• InChIKey: IXNCSBRTUNMICA-UHFFFAOYSA-N
• XLogP: 35.52
• TPSA: 138.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2428.84
LogP ≤ 5	35.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?

The IUPAC name of 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum (CID 159605088) is 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)cc(C(C)(C)C)c3)c2)cc(C(C)C)c1.CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)C)c1.CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)cc(C(C)(C)C)c3)c2)cc(C(C)C)c1.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?

The InChIKey is IXNCSBRTUNMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N2OS.2C40H39N2OS.3Pt/c1-26(2)29-17-30(27(3)4)19-31(18-29)28-15-16-45-38(23-28)33-20-32(21-34(22-33)43(5,6)7)37-24-35(44(8,9)10)25-40-41(37)46-42(48-40)36-13-11-12-14-39(36)47;1-24(2)29-18-30(25(3)4)20-31(19-29)26-15-16-41-35(21-26)28-12-10-11-27(17-28)34-22-32(40(5,6)7)23-37-38(34)42-39(44-37)33-13-8-9-14-36(33)43;1-24(2)27-17-28(25(3)4)19-29(18-27)26-15-16-41-35(23-26)31-20-30(21-32(22-31)40(5,6)7)33-12-10-14-37-38(33)42-39(44-37)34-11-8-9-13-36(34)43;;;/h11-19,21-27,47H,1-10H3;8-16,18-25,43H,1-7H3;8-19,21-25,43H,1-7H3;;;/q3*-1;;;.

What are the key properties of 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?

2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum has a molecular weight of 2428.84 g/mol, XLogP of 35.52, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-tert-butyl-4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-tert-butyl-5-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum is sourced from PubChem (CID 159605088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).