2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum

C120H98FN8O3Pt3S3-3 — CID 161357876

About 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum

2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum (PubChem CID 161357876) has the molecular formula C120H98FN8O3Pt3S3-3 and a molecular weight of 2400.59 g/mol. Its IUPAC name is 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum.

Molecular Properties

• Compound Name: 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum
• PubChem CID: 161357876
• Molecular Formula: C120H98FN8O3Pt3S3-3
• Molecular Weight: 2400.59 g/mol
• Exact Mass: 2398.59
• IUPAC Name: 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum
• SMILES: CC(C)(C)c1c[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4ccccc4/N=C/c4c(O)cccc4F)nc23)cc1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(C#N)cc4)ccc(-c4ccc(C#N)cc4)c3s2)c1.Cc1cc(C)cc(-c2cc[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5/N=C/c5cc(-c6ccc7ccccc7c6)ccc5O)nc34)c2)c1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C48H39N2OS.C38H27N4OS.C34H32FN2OS.3Pt/c1-30-21-31(2)23-38(22-30)34-13-10-14-37(25-34)42-27-40(48(3,4)5)28-45-46(42)50-47(52-45)41-15-8-9-16-43(41)49-29-39-26-36(19-20-44(39)51)35-18-17-32-11-6-7-12-33(32)24-35;1-38(2,3)29-16-19-34(43)28(20-29)23-41-33-7-5-4-6-32(33)37-42-35-30(26-12-8-24(21-39)9-13-26)17-18-31(36(35)44-37)27-14-10-25(22-40)11-15-27;1-33(2,3)22-16-14-21(15-17-22)25-18-23(34(4,5)6)19-30-31(25)37-32(39-30)24-10-7-8-12-28(24)36-20-26-27(35)11-9-13-29(26)38;;;/h6-13,15-29,51H,1-5H3;4-12,14-20,23,43H,1-3H3;7-14,16-20,38H,1-6H3;;;/q3*-1;;;/b49-29+;41-23+;36-20+
• InChIKey: HGABRLAREKEPEM-UCAQMIKPSA-N
• XLogP: 32.50
• TPSA: 184.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2400.59
LogP ≤ 5	32.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum?

The IUPAC name of 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum (CID 161357876) is 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum.

What is the SMILES notation for 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum?

The canonical SMILES for 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum is CC(C)(C)c1c[c-]c(-c2cc(C(C)(C)C)cc3sc(-c4ccccc4/N=C/c4c(O)cccc4F)nc23)cc1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(C#N)cc4)ccc(-c4ccc(C#N)cc4)c3s2)c1.Cc1cc(C)cc(-c2cc[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5/N=C/c5cc(-c6ccc7ccccc7c6)ccc5O)nc34)c2)c1.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum?

The InChIKey is HGABRLAREKEPEM-UCAQMIKPSA-N. The full InChI is InChI=1S/C48H39N2OS.C38H27N4OS.C34H32FN2OS.3Pt/c1-30-21-31(2)23-38(22-30)34-13-10-14-37(25-34)42-27-40(48(3,4)5)28-45-46(42)50-47(52-45)41-15-8-9-16-43(41)49-29-39-26-36(19-20-44(39)51)35-18-17-32-11-6-7-12-33(32)24-35;1-38(2,3)29-16-19-34(43)28(20-29)23-41-33-7-5-4-6-32(33)37-42-35-30(26-12-8-24(21-39)9-13-26)17-18-31(36(35)44-37)27-14-10-25(22-40)11-15-27;1-33(2,3)22-16-14-21(15-17-22)25-18-23(34(4,5)6)19-30-31(25)37-32(39-30)24-10-7-8-12-28(24)36-20-26-27(35)11-9-13-29(26)38;;;/h6-13,15-29,51H,1-5H3;4-12,14-20,23,43H,1-3H3;7-14,16-20,38H,1-6H3;;;/q3*-1;;;/b49-29+;41-23+;36-20+;;;.

What are the key properties of 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum?

2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum has a molecular weight of 2400.59 g/mol, XLogP of 32.50, 15 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[6-tert-butyl-4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-3-fluorophenol;2-[[2-[6-tert-butyl-4-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-naphthalen-2-ylphenol;4-[2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-7-(4-cyanophenyl)-1,3-benzothiazol-4-yl]benzene-5-ide-1-carbonitrile;platinum is sourced from PubChem (CID 161357876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).