4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum

C152H132N8O4Pt4S4-4 — CID 157220224

IUPAC4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cccc4)cc(-c4ccccc4)cc3s2)c1.CC(C)c1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.Cc1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C40H37N2OS.C39H35N2OS.C37H31N2OS.C36H29N2OS.4Pt/c1-39(2,3)30-18-16-26(17-19-30)28-23-33(27-12-8-7-9-13-27)37-36(24-28)44-38(42-37)32-14-10-11-15-34(32)41-25-29-22-31(40(4,5)6)20-21-35(29)43;1-25(2)26-15-17-27(18-16-26)29-22-33(28-11-7-6-8-12-28)37-36(23-29)43-38(41-37)32-13-9-10-14-34(32)40-24-30-21-31(39(3,4)5)19-20-35(30)42;1-24-14-16-25(17-15-24)27-21-31(26-10-6-5-7-11-26)35-34(22-27)41-36(39-35)30-12-8-9-13-32(30)38-23-28-20-29(37(2,3)4)18-19-33(28)40;1-36(2,3)28-18-19-32(39)27(20-28)23-37-31-17-11-10-16-29(31)35-38-34-30(25-14-8-5-9-15-25)21-26(22-33(34)40-35)24-12-6-4-7-13-24;;;;/h7-12,14-25,43H,1-6H3;6-11,13-25,42H,1-5H3;5-10,12-23,40H,1-4H3;4-14,16-23,39H,1-3H3;;;;/q4*-1;;;;/b41-25+;40-24+;38-23+;37-23+;;;;
InChIKeyNONXFMOOUADXBN-FKSCKXQESA-N
MW3043.36 g/mol
LogP42.12
Rot. Bonds21

About 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum

4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 157220224) has the molecular formula C152H132N8O4Pt4S4-4 and a molecular weight of 3043.36 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
PubChem CID157220224
Molecular FormulaC152H132N8O4Pt4S4-4
Molecular Weight3043.36 g/mol
Exact Mass3040.79
IUPAC Name4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cccc4)cc(-c4ccccc4)cc3s2)c1.CC(C)c1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.Cc1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C40H37N2OS.C39H35N2OS.C37H31N2OS.C36H29N2OS.4Pt/c1-39(2,3)30-18-16-26(17-19-30)28-23-33(27-12-8-7-9-13-27)37-36(24-28)44-38(42-37)32-14-10-11-15-34(32)41-25-29-22-31(40(4,5)6)20-21-35(29)43;1-25(2)26-15-17-27(18-16-26)29-22-33(28-11-7-6-8-12-28)37-36(23-29)43-38(41-37)32-13-9-10-14-34(32)40-24-30-21-31(39(3,4)5)19-20-35(30)42;1-24-14-16-25(17-15-24)27-21-31(26-10-6-5-7-11-26)35-34(22-27)41-36(39-35)30-12-8-9-13-32(30)38-23-28-20-29(37(2,3)4)18-19-33(28)40;1-36(2,3)28-18-19-32(39)27(20-28)23-37-31-17-11-10-16-29(31)35-38-34-30(25-14-8-5-9-15-25)21-26(22-33(34)40-35)24-12-6-4-7-13-24;;;;/h7-12,14-25,43H,1-6H3;6-11,13-25,42H,1-5H3;5-10,12-23,40H,1-4H3;4-14,16-23,39H,1-3H3;;;;/q4*-1;;;;/b41-25+;40-24+;38-23+;37-23+;;;;
InChIKeyNONXFMOOUADXBN-FKSCKXQESA-N
XLogP42.12
TPSA181.92 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.36
LogP ≤ 542.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum with MolForge

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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
Bis(3,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol);copper
CID 136121212
Tris(3,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol);iron
CID 136121220
2-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)phenol;bis(2-(1,3-benzothiazol-2-yl)-4-[4-(N-phenylanilino)phenyl]phenol);zinc
CID 136198202
Tris(2-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)phenol);ZINC
CID 136198212
4-Tert-butyl-2-[[2-[4-phenyl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679331
2-[[2-(6-Tert-butyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-(3,5-dimethylphenyl)phenol
CID 141679380
4-Tert-butyl-2-[[2-[6-(2,5-dimethylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679412
4-Tert-butyl-2-[[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)phenyl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679453
2,4-Ditert-butyl-6-[[2-[6-tert-butyl-4-(4-phenylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679553
4-Tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)phenyl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141679588
4-Tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol
CID 141680141

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (CID 157220224) is 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cccc4)cc(-c4ccccc4)cc3s2)c1.CC(C)c1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.Cc1ccc(-c2cc(-c3[c-]cccc3)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)cc1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The InChIKey is NONXFMOOUADXBN-FKSCKXQESA-N. The full InChI is InChI=1S/C40H37N2OS.C39H35N2OS.C37H31N2OS.C36H29N2OS.4Pt/c1-39(2,3)30-18-16-26(17-19-30)28-23-33(27-12-8-7-9-13-27)37-36(24-28)44-38(42-37)32-14-10-11-15-34(32)41-25-29-22-31(40(4,5)6)20-21-35(29)43;1-25(2)26-15-17-27(18-16-26)29-22-33(28-11-7-6-8-12-28)37-36(23-29)43-38(41-37)32-13-9-10-14-34(32)40-24-30-21-31(39(3,4)5)19-20-35(30)42;1-24-14-16-25(17-15-24)27-21-31(26-10-6-5-7-11-26)35-34(22-27)41-36(39-35)30-12-8-9-13-32(30)38-23-28-20-29(37(2,3)4)18-19-33(28)40;1-36(2,3)28-18-19-32(39)27(20-28)23-37-31-17-11-10-16-29(31)35-38-34-30(25-14-8-5-9-15-25)21-26(22-33(34)40-35)24-12-6-4-7-13-24;;;;/h7-12,14-25,43H,1-6H3;6-11,13-25,42H,1-5H3;5-10,12-23,40H,1-4H3;4-14,16-23,39H,1-3H3;;;;/q4*-1;;;;/b41-25+;40-24+;38-23+;37-23+;;;;.
What are the key properties of 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum has a molecular weight of 3043.36 g/mol, XLogP of 42.12, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2-[6-(4-tert-butylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(4-methylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-phenyl-6-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157220224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).