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

C112H101N6O3Pt3S3-3 — CID 157244515

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

2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum (PubChem CID 157244515) has the molecular formula C112H101N6O3Pt3S3-3 and a molecular weight of 2260.51 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
• PubChem CID: 157244515
• Molecular Formula: C112H101N6O3Pt3S3-3
• Molecular Weight: 2260.51 g/mol
• Exact Mass: 2258.61
• IUPAC Name: 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3ccccc3O)sc2c1.CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)C)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)ccc3)cccc2s1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C42H43N2OS.C40H39N2OS.C30H19N2OS.3Pt/c1-40(2,3)28-22-31(38-37(23-28)46-39(44-38)29-17-13-14-18-36(29)45)30-24-32(34(42(7,8)9)25-33(30)41(4,5)6)35-21-27(19-20-43-35)26-15-11-10-12-16-26;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;33-27-14-5-4-12-25(27)30-32-29-24(13-7-15-28(29)34-30)22-10-6-11-23(18-22)26-19-21(16-17-31-26)20-8-2-1-3-9-20;;;/h10-23,25,45H,1-9H3;8-16,18-25,43H,1-7H3;1-17,19,33H;;;/q3*-1
• InChIKey: KIVLCZYMVCPAKF-UHFFFAOYSA-N
• XLogP: 31.02
• TPSA: 138.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2260.51
LogP ≤ 5	31.02
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-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?

The IUPAC name of 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum (CID 157244515) is 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-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-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3ccccc3O)sc2c1.CC(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)C)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)ccc3)cccc2s1.[Pt].[Pt].[Pt].

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

The InChIKey is KIVLCZYMVCPAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N2OS.C40H39N2OS.C30H19N2OS.3Pt/c1-40(2,3)28-22-31(38-37(23-28)46-39(44-38)29-17-13-14-18-36(29)45)30-24-32(34(42(7,8)9)25-33(30)41(4,5)6)35-21-27(19-20-43-35)26-15-11-10-12-16-26;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;33-27-14-5-4-12-25(27)30-32-29-24(13-7-15-28(29)34-30)22-10-6-11-23(18-22)26-19-21(16-17-31-26)20-8-2-1-3-9-20;;;/h10-23,25,45H,1-9H3;8-16,18-25,43H,1-7H3;1-17,19,33H;;;/q3*-1;;;.

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

2-[6-tert-butyl-4-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum has a molecular weight of 2260.51 g/mol, XLogP of 31.02, 14 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-[2,4-ditert-butyl-5-(4-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;2-[4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum is sourced from PubChem (CID 157244515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).