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

C160H156N8O4Pt4S4-4 — CID 159495411

IUPAC2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3cc(-c4ccccc4)ccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)cc(-c3ccccc3)c2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4cc(-c5ccccc5)ccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4sc(-c5cc(-c6ccccc6)ccc5O)nc34)c(C(C)(C)C)cc2C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/3C42H43N2OS.C34H27N2OS.4Pt/c1-40(2,3)28-22-30(29-24-31(35-17-13-14-20-43-35)34(42(7,8)9)25-33(29)41(4,5)6)38-37(23-28)46-39(44-38)32-21-27(18-19-36(32)45)26-15-11-10-12-16-26;1-40(2,3)28-20-21-43-35(23-28)31-24-30(33(41(4,5)6)25-34(31)42(7,8)9)29-16-13-17-37-38(29)44-39(46-37)32-22-27(18-19-36(32)45)26-14-11-10-12-15-26;1-40(2,3)30-17-18-43-35(24-30)29-19-28(20-31(21-29)41(4,5)6)33-23-32(42(7,8)9)25-37-38(33)44-39(46-37)34-22-27(15-16-36(34)45)26-13-11-10-12-14-26;1-34(2,3)26-20-28(32-31(21-26)38-33(36-32)27-13-7-8-15-30(27)37)24-17-23(22-11-5-4-6-12-22)18-25(19-24)29-14-9-10-16-35-29;;;;/h2*10-23,25,45H,1-9H3;10-18,20-25,45H,1-9H3;4-18,20-21,37H,1-3H3;;;;/q4*-1;;;;
InChIKeyFEXBBXGJOYFCMY-UHFFFAOYSA-N
MW3163.64 g/mol
LogP44.43
Rot. Bonds16

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

2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum (PubChem CID 159495411) has the molecular formula C160H156N8O4Pt4S4-4 and a molecular weight of 3163.64 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum.

Molecular Properties

Compound Name2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum
PubChem CID159495411
Molecular FormulaC160H156N8O4Pt4S4-4
Molecular Weight3163.64 g/mol
Exact Mass3160.97
IUPAC Name2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3cc(-c4ccccc4)ccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)cc(-c3ccccc3)c2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4cc(-c5ccccc5)ccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4sc(-c5cc(-c6ccccc6)ccc5O)nc34)c(C(C)(C)C)cc2C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/3C42H43N2OS.C34H27N2OS.4Pt/c1-40(2,3)28-22-30(29-24-31(35-17-13-14-20-43-35)34(42(7,8)9)25-33(29)41(4,5)6)38-37(23-28)46-39(44-38)32-21-27(18-19-36(32)45)26-15-11-10-12-16-26;1-40(2,3)28-20-21-43-35(23-28)31-24-30(33(41(4,5)6)25-34(31)42(7,8)9)29-16-13-17-37-38(29)44-39(46-37)32-22-27(18-19-36(32)45)26-14-11-10-12-15-26;1-40(2,3)30-17-18-43-35(24-30)29-19-28(20-31(21-29)41(4,5)6)33-23-32(42(7,8)9)25-37-38(33)44-39(46-37)34-22-27(15-16-36(34)45)26-13-11-10-12-14-26;1-34(2,3)26-20-28(32-31(21-26)38-33(36-32)27-13-7-8-15-30(27)37)24-17-23(22-11-5-4-6-12-22)18-25(19-24)29-14-9-10-16-35-29;;;;/h2*10-23,25,45H,1-9H3;10-18,20-25,45H,1-9H3;4-18,20-21,37H,1-3H3;;;;/q4*-1;;;;
InChIKeyFEXBBXGJOYFCMY-UHFFFAOYSA-N
XLogP44.43
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003163.64
LogP ≤ 544.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum?
The IUPAC name of 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum (CID 159495411) is 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum.
What is the SMILES notation for 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum?
The canonical SMILES for 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)c(C(C)(C)C)cc2C(C)(C)C)c2nc(-c3cc(-c4ccccc4)ccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)cc(-c3ccccc3)c2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4cc(-c5ccccc5)ccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4sc(-c5cc(-c6ccccc6)ccc5O)nc34)c(C(C)(C)C)cc2C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum?
The InChIKey is FEXBBXGJOYFCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H43N2OS.C34H27N2OS.4Pt/c1-40(2,3)28-22-30(29-24-31(35-17-13-14-20-43-35)34(42(7,8)9)25-33(29)41(4,5)6)38-37(23-28)46-39(44-38)32-21-27(18-19-36(32)45)26-15-11-10-12-16-26;1-40(2,3)28-20-21-43-35(23-28)31-24-30(33(41(4,5)6)25-34(31)42(7,8)9)29-16-13-17-37-38(29)44-39(46-37)32-22-27(18-19-36(32)45)26-14-11-10-12-15-26;1-40(2,3)30-17-18-43-35(24-30)29-19-28(20-31(21-29)41(4,5)6)33-23-32(42(7,8)9)25-37-38(33)44-39(46-37)34-22-27(15-16-36(34)45)26-13-11-10-12-14-26;1-34(2,3)26-20-28(32-31(21-26)38-33(36-32)27-13-7-8-15-30(27)37)24-17-23(22-11-5-4-6-12-22)18-25(19-24)29-14-9-10-16-35-29;;;;/h2*10-23,25,45H,1-9H3;10-18,20-25,45H,1-9H3;4-18,20-21,37H,1-3H3;;;;/q4*-1;;;;.
What are the key properties of 2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum?
2-[6-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum has a molecular weight of 3163.64 g/mol, XLogP of 44.43, 16 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-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum is sourced from PubChem (CID 159495411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).