2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum

C66H65F2N4O2PtS2Si2- — CID 158629672

IUPAC2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]cc([Si](C)(C)C)cc2)c2nc(-c3ccccc3/N=C/c3cc(F)ccc3O)sc2c1.CC(C)(C)c1cc(-c2ccc([Si](C)(C)C)cc2)c2nc(-c3ccccc3/N=C/c3cc(F)ccc3O)sc2c1.[Pt]
InChIInChI=1S/C33H33FN2OSSi.C33H32FN2OSSi.Pt/c2*1-33(2,3)23-18-27(21-11-14-25(15-12-21)39(4,5)6)31-30(19-23)38-32(36-31)26-9-7-8-10-28(26)35-20-22-17-24(34)13-16-29(22)37;/h7-20,37H,1-6H3;7-11,13-20,37H,1-6H3;/q;-1;/b2*35-20+;
InChIKeyXZTLVYPSAHLWNQ-OFCBVGAASA-N
MW1299.65 g/mol
LogP17.93
Rot. Bonds10

About 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum

2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum (PubChem CID 158629672) has the molecular formula C66H65F2N4O2PtS2Si2- and a molecular weight of 1299.65 g/mol. Its IUPAC name is 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum.

Molecular Properties

Compound Name2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum
PubChem CID158629672
Molecular FormulaC66H65F2N4O2PtS2Si2-
Molecular Weight1299.65 g/mol
Exact Mass1298.37
IUPAC Name2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]cc([Si](C)(C)C)cc2)c2nc(-c3ccccc3/N=C/c3cc(F)ccc3O)sc2c1.CC(C)(C)c1cc(-c2ccc([Si](C)(C)C)cc2)c2nc(-c3ccccc3/N=C/c3cc(F)ccc3O)sc2c1.[Pt]
InChIInChI=1S/C33H33FN2OSSi.C33H32FN2OSSi.Pt/c2*1-33(2,3)23-18-27(21-11-14-25(15-12-21)39(4,5)6)31-30(19-23)38-32(36-31)26-9-7-8-10-28(26)35-20-22-17-24(34)13-16-29(22)37;/h7-20,37H,1-6H3;7-11,13-20,37H,1-6H3;/q;-1;/b2*35-20+;
InChIKeyXZTLVYPSAHLWNQ-OFCBVGAASA-N
XLogP17.93
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms79
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.65
LogP ≤ 517.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum?
The IUPAC name of 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum (CID 158629672) is 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum.
What is the SMILES notation for 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum?
The canonical SMILES for 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum is CC(C)(C)c1cc(-c2[c-]cc([Si](C)(C)C)cc2)c2nc(-c3ccccc3/N=C/c3cc(F)ccc3O)sc2c1.CC(C)(C)c1cc(-c2ccc([Si](C)(C)C)cc2)c2nc(-c3ccccc3/N=C/c3cc(F)ccc3O)sc2c1.[Pt].
What is the InChIKey of 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum?
The InChIKey is XZTLVYPSAHLWNQ-OFCBVGAASA-N. The full InChI is InChI=1S/C33H33FN2OSSi.C33H32FN2OSSi.Pt/c2*1-33(2,3)23-18-27(21-11-14-25(15-12-21)39(4,5)6)31-30(19-23)38-32(36-31)26-9-7-8-10-28(26)35-20-22-17-24(34)13-16-29(22)37;/h7-20,37H,1-6H3;7-11,13-20,37H,1-6H3;/q;-1;/b2*35-20+;.
What are the key properties of 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum?
2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum has a molecular weight of 1299.65 g/mol, XLogP of 17.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-tert-butyl-4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;2-[[2-[6-tert-butyl-4-(4-trimethylsilylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-fluorophenol;platinum is sourced from PubChem (CID 158629672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).