2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum

C167H159N13O4Pt4S4-4 — CID 160641431

About 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum

2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum (PubChem CID 160641431) has the molecular formula C167H159N13O4Pt4S4-4 and a molecular weight of 3320.78 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum
• PubChem CID: 160641431
• Molecular Formula: C167H159N13O4Pt4S4-4
• Molecular Weight: 3320.78 g/mol
• Exact Mass: 3318.01
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(C(c5ccccc5)(c5ccccc5)c5ccccn5)ccc4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(C(c5ccccc5)(c5ccccc5)c5ccccn5)ccc4)cccc3s2)c(O)c(C(C)(C)C)c1.Cc1ccnc(C)c1N(c1[c-]c(-c2cccc3sc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)ccc1)c1ccccn1.Cc1ccnc(C)c1N(c1[c-]c(-c2cccc3sc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)ccc1)c1ncccn1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/2C45H41N2OS.C39H39N4OS.C38H38N5OS.4Pt/c2*1-43(2,3)34-28-36(41(48)37(29-34)44(4,5)6)42-47-40-35(23-16-24-38(40)49-42)30-17-15-22-33(27-30)45(31-18-9-7-10-19-31,32-20-11-8-12-21-32)39-25-13-14-26-46-39;1-24-18-20-40-25(2)35(24)43(33-17-9-10-19-41-33)28-14-11-13-26(21-28)29-15-12-16-32-34(29)42-37(45-32)30-22-27(38(3,4)5)23-31(36(30)44)39(6,7)8;1-23-16-19-39-24(2)33(23)43(36-40-17-11-18-41-36)27-13-9-12-25(20-27)28-14-10-15-31-32(28)42-35(45-31)29-21-26(37(3,4)5)22-30(34(29)44)38(6,7)8;;;;/h2*7-26,28-29,48H,1-6H3;9-20,22-23,44H,1-8H3;9-19,21-22,44H,1-8H3;;;;/q4*-1
• InChIKey: MEIZWJMBOHUKKA-UHFFFAOYSA-N
• XLogP: 43.62
• TPSA: 229.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3320.78
LogP ≤ 5	43.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum (CID 160641431) is 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(C(c5ccccc5)(c5ccccc5)c5ccccn5)ccc4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(C(c5ccccc5)(c5ccccc5)c5ccccn5)ccc4)cccc3s2)c(O)c(C(C)(C)C)c1.Cc1ccnc(C)c1N(c1[c-]c(-c2cccc3sc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)ccc1)c1ccccn1.Cc1ccnc(C)c1N(c1[c-]c(-c2cccc3sc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)ccc1)c1ncccn1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum?

The InChIKey is MEIZWJMBOHUKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H41N2OS.C39H39N4OS.C38H38N5OS.4Pt/c2*1-43(2,3)34-28-36(41(48)37(29-34)44(4,5)6)42-47-40-35(23-16-24-38(40)49-42)30-17-15-22-33(27-30)45(31-18-9-7-10-19-31,32-20-11-8-12-21-32)39-25-13-14-26-46-39;1-24-18-20-40-25(2)35(24)43(33-17-9-10-19-41-33)28-14-11-13-26(21-28)29-15-12-16-32-34(29)42-37(45-32)30-22-27(38(3,4)5)23-31(36(30)44)39(6,7)8;1-23-16-19-39-24(2)33(23)43(36-40-17-11-18-41-36)27-13-9-12-25(20-27)28-14-10-15-31-32(28)42-35(45-31)29-21-26(37(3,4)5)22-30(34(29)44)38(6,7)8;;;;/h2*7-26,28-29,48H,1-6H3;9-20,22-23,44H,1-8H3;9-19,21-22,44H,1-8H3;;;;/q4*-1;;;;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum?

2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum has a molecular weight of 3320.78 g/mol, XLogP of 43.62, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyrimidin-2-ylamino]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[4-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol);platinum is sourced from PubChem (CID 160641431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).