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

C134H145N6O3Pt3S3-3 — CID 158376136

IUPAC2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)c(C(C)(C)C)cc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)c(C(C)(C)C)cc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C50H59N2OS.C46H51N2OS.C38H35N2OS.3Pt/c1-46(2,3)32-22-31(23-33(25-32)47(4,5)6)30-20-21-51-41(24-30)38-28-36(39(49(10,11)12)29-40(38)50(13,14)15)37-26-34(48(7,8)9)27-43-44(37)52-45(54-43)35-18-16-17-19-42(35)53;1-43(2,3)30-22-29(23-31(25-30)44(4,5)6)28-20-21-47-38(24-28)35-26-34(36(45(7,8)9)27-37(35)46(10,11)12)32-17-15-19-40-41(32)48-42(50-40)33-16-13-14-18-39(33)49;1-37(2,3)28-20-27(21-29(23-28)38(4,5)6)24-17-18-39-32(22-24)26-12-9-11-25(19-26)30-14-10-16-34-35(30)40-36(42-34)31-13-7-8-15-33(31)41;;;/h16-27,29,53H,1-15H3;13-25,27,49H,1-12H3;7-18,20-23,41H,1-6H3;;;/q3*-1;;;
InChIKeyYDQALXCRKUUWJU-UHFFFAOYSA-N
MW2569.11 g/mol
LogP37.86
Rot. Bonds12

About 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-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-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum (PubChem CID 158376136) has the molecular formula C134H145N6O3Pt3S3-3 and a molecular weight of 2569.11 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
PubChem CID158376136
Molecular FormulaC134H145N6O3Pt3S3-3
Molecular Weight2569.11 g/mol
Exact Mass2566.95
IUPAC Name2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)c(C(C)(C)C)cc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)c(C(C)(C)C)cc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C50H59N2OS.C46H51N2OS.C38H35N2OS.3Pt/c1-46(2,3)32-22-31(23-33(25-32)47(4,5)6)30-20-21-51-41(24-30)38-28-36(39(49(10,11)12)29-40(38)50(13,14)15)37-26-34(48(7,8)9)27-43-44(37)52-45(54-43)35-18-16-17-19-42(35)53;1-43(2,3)30-22-29(23-31(25-30)44(4,5)6)28-20-21-47-38(24-28)35-26-34(36(45(7,8)9)27-37(35)46(10,11)12)32-17-15-19-40-41(32)48-42(50-40)33-16-13-14-18-39(33)49;1-37(2,3)28-20-27(21-29(23-28)38(4,5)6)24-17-18-39-32(22-24)26-12-9-11-25(19-26)30-14-10-16-34-35(30)40-36(42-34)31-13-7-8-15-33(31)41;;;/h16-27,29,53H,1-15H3;13-25,27,49H,1-12H3;7-18,20-23,41H,1-6H3;;;/q3*-1;;;
InChIKeyYDQALXCRKUUWJU-UHFFFAOYSA-N
XLogP37.86
TPSA138.03 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.11
LogP ≤ 537.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-yl]phenol;platinum
CID 177110885
2-[[2-(6-Tert-butyl-4-quinolin-8-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-fluorophenol
CID 141679494
2-[4-[3-(6-Fluoroquinolin-8-yl)phenyl]-1,3-benzothiazol-2-yl]-4-(2-phenylpropan-2-yl)phenol
CID 177110748
4-Tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-yl]phenol
CID 177110886
2-(6-Butyl-4-quinolin-8-yl-1,3-benzothiazol-2-yl)phenol
CID 138712219
2,4-Ditert-butyl-6-[[2-(6-tert-butyl-4-quinolin-8-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol
CID 141679960
2-(6-Tert-butyl-4-quinolin-8-yl-1,3-benzothiazol-2-yl)phenol
CID 141680709
2-[4-[2,4-Ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768266
2-[6-tert-butyl-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768268
2-[6-Tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768284
2-[6-Tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768292
2-[4-(3-Isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768310

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-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-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum (CID 158376136) is 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-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-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-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-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cc(C(C)(C)C)cc5sc(-c6ccccc6O)nc45)c(C(C)(C)C)cc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)c(C(C)(C)C)cc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccnc(-c3[c-]c(-c4cccc5sc(-c6ccccc6O)nc45)ccc3)c2)cc(C(C)(C)C)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum?
The InChIKey is YDQALXCRKUUWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N2OS.C46H51N2OS.C38H35N2OS.3Pt/c1-46(2,3)32-22-31(23-33(25-32)47(4,5)6)30-20-21-51-41(24-30)38-28-36(39(49(10,11)12)29-40(38)50(13,14)15)37-26-34(48(7,8)9)27-43-44(37)52-45(54-43)35-18-16-17-19-42(35)53;1-43(2,3)30-22-29(23-31(25-30)44(4,5)6)28-20-21-47-38(24-28)35-26-34(36(45(7,8)9)27-37(35)46(10,11)12)32-17-15-19-40-41(32)48-42(50-40)33-16-13-14-18-39(33)49;1-37(2,3)28-20-27(21-29(23-28)38(4,5)6)24-17-18-39-32(22-24)26-12-9-11-25(19-26)30-14-10-16-34-35(30)40-36(42-34)31-13-7-8-15-33(31)41;;;/h16-27,29,53H,1-15H3;13-25,27,49H,1-12H3;7-18,20-23,41H,1-6H3;;;/q3*-1;;;.
What are the key properties of 2-[6-tert-butyl-4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-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-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum has a molecular weight of 2569.11 g/mol, XLogP of 37.86, 12 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-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[2,4-ditert-butyl-5-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-[3-[4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum is sourced from PubChem (CID 158376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).