2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum

C128H100N8O4Pt4S4-4 — CID 158155419

IUPAC2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2cc3ccccc3cn2)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4ccccc4O)nc23)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4nccc5ccccc45)ccc3)cccc2s1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C36H33N2OS.2C32H25N2OS.C28H17N2OS.4Pt/c1-35(2,3)25-18-23(17-24(19-25)32-27-12-8-7-11-22(27)15-16-37-32)29-20-26(36(4,5)6)21-31-33(29)38-34(40-31)28-13-9-10-14-30(28)39;1-32(2,3)24-17-26(30-29(18-24)36-31(34-30)25-13-6-7-14-28(25)35)21-11-8-12-22(15-21)27-16-20-9-4-5-10-23(20)19-33-27;1-32(2,3)24-16-22(15-23(17-24)27-18-20-9-4-5-10-21(20)19-33-27)25-12-8-14-29-30(25)34-31(36-29)26-11-6-7-13-28(26)35;31-24-13-4-3-11-23(24)28-30-27-22(12-6-14-25(27)32-28)19-8-5-9-20(17-19)26-21-10-2-1-7-18(21)15-16-29-26;;;;/h7-16,18-21,39H,1-6H3;2*4-14,16-19,35H,1-3H3;1-16,31H;;;;/q4*-1;;;;
InChIKeyOVZZDBFLFYIKEG-UHFFFAOYSA-N
MW2722.84 g/mol
LogP34.59
Rot. Bonds12

About 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum

2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum (PubChem CID 158155419) has the molecular formula C128H100N8O4Pt4S4-4 and a molecular weight of 2722.84 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
PubChem CID158155419
Molecular FormulaC128H100N8O4Pt4S4-4
Molecular Weight2722.84 g/mol
Exact Mass2720.54
IUPAC Name2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2cc3ccccc3cn2)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4ccccc4O)nc23)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4nccc5ccccc45)ccc3)cccc2s1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C36H33N2OS.2C32H25N2OS.C28H17N2OS.4Pt/c1-35(2,3)25-18-23(17-24(19-25)32-27-12-8-7-11-22(27)15-16-37-32)29-20-26(36(4,5)6)21-31-33(29)38-34(40-31)28-13-9-10-14-30(28)39;1-32(2,3)24-17-26(30-29(18-24)36-31(34-30)25-13-6-7-14-28(25)35)21-11-8-12-22(15-21)27-16-20-9-4-5-10-23(20)19-33-27;1-32(2,3)24-16-22(15-23(17-24)27-18-20-9-4-5-10-21(20)19-33-27)25-12-8-14-29-30(25)34-31(36-29)26-11-6-7-13-28(26)35;31-24-13-4-3-11-23(24)28-30-27-22(12-6-14-25(27)32-28)19-8-5-9-20(17-19)26-21-10-2-1-7-18(21)15-16-29-26;;;;/h7-16,18-21,39H,1-6H3;2*4-14,16-19,35H,1-3H3;1-16,31H;;;;/q4*-1;;;;
InChIKeyOVZZDBFLFYIKEG-UHFFFAOYSA-N
XLogP34.59
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002722.84
LogP ≤ 534.59
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-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-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
Tris(3,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol);iron
CID 136121220
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
2-[4-[3-(4-Tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768312
2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768322
2-[4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768328
2-[6-Tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-5-[3,5-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;platinum
CID 145768338

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
The IUPAC name of 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum (CID 158155419) is 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-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-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2cc3ccccc3cn2)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4ccccc4O)nc23)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4nccc5ccccc45)ccc3)cccc2s1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
The InChIKey is OVZZDBFLFYIKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N2OS.2C32H25N2OS.C28H17N2OS.4Pt/c1-35(2,3)25-18-23(17-24(19-25)32-27-12-8-7-11-22(27)15-16-37-32)29-20-26(36(4,5)6)21-31-33(29)38-34(40-31)28-13-9-10-14-30(28)39;1-32(2,3)24-17-26(30-29(18-24)36-31(34-30)25-13-6-7-14-28(25)35)21-11-8-12-22(15-21)27-16-20-9-4-5-10-23(20)19-33-27;1-32(2,3)24-16-22(15-23(17-24)27-18-20-9-4-5-10-21(20)19-33-27)25-12-8-14-29-30(25)34-31(36-29)26-11-6-7-13-28(26)35;31-24-13-4-3-11-23(24)28-30-27-22(12-6-14-25(27)32-28)19-8-5-9-20(17-19)26-21-10-2-1-7-18(21)15-16-29-26;;;;/h7-16,18-21,39H,1-6H3;2*4-14,16-19,35H,1-3H3;1-16,31H;;;;/q4*-1;;;;.
What are the key properties of 2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
2-[6-tert-butyl-4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum has a molecular weight of 2722.84 g/mol, XLogP of 34.59, 12 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-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum is sourced from PubChem (CID 158155419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).