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

C44H38F3N2OPtS- — CID 177110885

IUPAC4-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
SMILESCc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5sc(-c6cc(C(C)(C)C)ccc6O)nc45)ccc3)cc(C(C)(C)C)cc12.[Pt]
InChIInChI=1S/C44H38F3N2OS.Pt/c1-25-17-18-48-39-33(25)23-32(43(5,6)7)24-35(39)28-10-8-9-27(19-28)34-20-29(26-11-13-30(14-12-26)44(45,46)47)21-38-40(34)49-41(51-38)36-22-31(42(2,3)4)15-16-37(36)50;/h8-18,20-24,50H,1-7H3;/q-1;
InChIKeyTUKDEGRWXAOWHQ-UHFFFAOYSA-N
MW894.94 g/mol
LogP12.94
Rot. Bonds4

About 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

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 (PubChem CID 177110885) has the molecular formula C44H38F3N2OPtS- and a molecular weight of 894.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID177110885
Molecular FormulaC44H38F3N2OPtS-
Molecular Weight894.94 g/mol
Exact Mass894.23
IUPAC Name4-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
SMILESCc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5sc(-c6cc(C(C)(C)C)ccc6O)nc45)ccc3)cc(C(C)(C)C)cc12.[Pt]
InChIInChI=1S/C44H38F3N2OS.Pt/c1-25-17-18-48-39-33(25)23-32(43(5,6)7)24-35(39)28-10-8-9-27(19-28)34-20-29(26-11-13-30(14-12-26)44(45,46)47)21-38-40(34)49-41(51-38)36-22-31(42(2,3)4)15-16-37(36)50;/h8-18,20-24,50H,1-7H3;/q-1;
InChIKeyTUKDEGRWXAOWHQ-UHFFFAOYSA-N
XLogP12.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.94
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 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

2,4-Ditert-butyl-6-[[2-[6-(4-fluorophenyl)-4-naphthalen-1-yl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679458
2-[[2-[6-Tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-6-fluorophenol
CID 141679530
2-[[2-[6-Tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol
CID 141679771
2-[[2-[6-Tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol
CID 141679776
4-Tert-butyl-2-[[2-[6-(4-fluorophenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679811
2-[[2-(6-Tert-butyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-(4-fluorophenyl)phenol
CID 141680053
2,4-Ditert-butyl-6-[[2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol
CID 141680591
2,4-Ditert-butyl-6-[[2-[6-tert-butyl-4-(4-fluorophenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141680650
2-[4-[5-(2,2-Dimethylpropyl)-15-phenyl-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaen-13-yl]-1,3-benzothiazol-2-yl]phenol;platinum
CID 164939730
2,4-ditert-butyl-6-[4-[6-[3-(N-phenylanilino)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol
CID 140906040
2,4-Ditert-butyl-6-[[2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol
CID 141679436
2-[[2-(6-Tert-butyl-4-quinolin-8-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-fluorophenol
CID 141679494

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5sc(-c6cc(C(C)(C)C)ccc6O)nc45)ccc3)cc(C(C)(C)C)cc12.[Pt].
What is the InChIKey of 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?
The InChIKey is TUKDEGRWXAOWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38F3N2OS.Pt/c1-25-17-18-48-39-33(25)23-32(43(5,6)7)24-35(39)28-10-8-9-27(19-28)34-20-29(26-11-13-30(14-12-26)44(45,46)47)21-38-40(34)49-41(51-38)36-22-31(42(2,3)4)15-16-37(36)50;/h8-18,20-24,50H,1-7H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 894.94 g/mol, XLogP of 12.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177110885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).