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

C172H148N8O4Pt4S4-4 — CID 157366072

IUPAC4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.CC(C)Cc1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.CC(C)c1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.Cc1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C44H39N2OS.C43H37N2OS.C41H33N2OS.4Pt/c1-43(2,3)32-16-11-15-29(23-32)30-25-37(35-19-12-14-28-13-7-8-17-34(28)35)41-40(26-30)48-42(46-41)36-18-9-10-20-38(36)45-27-31-24-33(44(4,5)6)21-22-39(31)47;1-28(2)22-29-12-10-15-31(23-29)32-25-38(36-18-11-14-30-13-6-7-16-35(30)36)42-41(26-32)48-43(46-42)37-17-8-9-19-39(37)45-27-33-24-34(44(3,4)5)20-21-40(33)47;1-27(2)29-14-10-15-30(22-29)31-24-37(35-18-11-13-28-12-6-7-16-34(28)35)41-40(25-31)47-42(45-41)36-17-8-9-19-38(36)44-26-32-23-33(43(3,4)5)20-21-39(32)46;1-26-11-9-14-28(21-26)29-23-35(33-17-10-13-27-12-5-6-15-32(27)33)39-38(24-29)45-40(43-39)34-16-7-8-18-36(34)42-25-30-22-31(41(2,3)4)19-20-37(30)44;;;;/h7-18,20-27,47H,1-6H3;6-17,19-21,23-28,47H,22H2,1-5H3;6-17,19-27,46H,1-5H3;5-16,18-25,44H,1-4H3;;;;/q4*-1;;;;/b2*45-27+;44-26+;42-25+;;;;
InChIKeyOFPWNGDWXZMCCG-KYPMJPCZSA-N
MW3299.71 g/mol
LogP47.94
Rot. Bonds23

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

4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 157366072) has the molecular formula C172H148N8O4Pt4S4-4 and a molecular weight of 3299.71 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
PubChem CID157366072
Molecular FormulaC172H148N8O4Pt4S4-4
Molecular Weight3299.71 g/mol
Exact Mass3296.91
IUPAC Name4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.CC(C)Cc1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.CC(C)c1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.Cc1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C44H39N2OS.C43H37N2OS.C41H33N2OS.4Pt/c1-43(2,3)32-16-11-15-29(23-32)30-25-37(35-19-12-14-28-13-7-8-17-34(28)35)41-40(26-30)48-42(46-41)36-18-9-10-20-38(36)45-27-31-24-33(44(4,5)6)21-22-39(31)47;1-28(2)22-29-12-10-15-31(23-29)32-25-38(36-18-11-14-30-13-6-7-16-35(30)36)42-41(26-32)48-43(46-42)37-17-8-9-19-39(37)45-27-33-24-34(44(3,4)5)20-21-40(33)47;1-27(2)29-14-10-15-30(22-29)31-24-37(35-18-11-13-28-12-6-7-16-34(28)35)41-40(25-31)47-42(45-41)36-17-8-9-19-38(36)44-26-32-23-33(43(3,4)5)20-21-39(32)46;1-26-11-9-14-28(21-26)29-23-35(33-17-10-13-27-12-5-6-15-32(27)33)39-38(24-29)45-40(43-39)34-16-7-8-18-36(34)42-25-30-22-31(41(2,3)4)19-20-37(30)44;;;;/h7-18,20-27,47H,1-6H3;6-17,19-21,23-28,47H,22H2,1-5H3;6-17,19-27,46H,1-5H3;5-16,18-25,44H,1-4H3;;;;/q4*-1;;;;/b2*45-27+;44-26+;42-25+;;;;
InChIKeyOFPWNGDWXZMCCG-KYPMJPCZSA-N
XLogP47.94
TPSA181.92 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003299.71
LogP ≤ 547.94
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-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (CID 157366072) is 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.CC(C)Cc1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.CC(C)c1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.Cc1cccc(-c2cc(-c3[c-]ccc4ccccc34)c3nc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)sc3c2)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The InChIKey is OFPWNGDWXZMCCG-KYPMJPCZSA-N. The full InChI is InChI=1S/2C44H39N2OS.C43H37N2OS.C41H33N2OS.4Pt/c1-43(2,3)32-16-11-15-29(23-32)30-25-37(35-19-12-14-28-13-7-8-17-34(28)35)41-40(26-30)48-42(46-41)36-18-9-10-20-38(36)45-27-31-24-33(44(4,5)6)21-22-39(31)47;1-28(2)22-29-12-10-15-31(23-29)32-25-38(36-18-11-14-30-13-6-7-16-35(30)36)42-41(26-32)48-43(46-42)37-17-8-9-19-39(37)45-27-33-24-34(44(3,4)5)20-21-40(33)47;1-27(2)29-14-10-15-30(22-29)31-24-37(35-18-11-13-28-12-6-7-16-34(28)35)41-40(25-31)47-42(45-41)36-17-8-9-19-38(36)44-26-32-23-33(43(3,4)5)20-21-39(32)46;1-26-11-9-14-28(21-26)29-23-35(33-17-10-13-27-12-5-6-15-32(27)33)39-38(24-29)45-40(43-39)34-16-7-8-18-36(34)42-25-30-22-31(41(2,3)4)19-20-37(30)44;;;;/h7-18,20-27,47H,1-6H3;6-17,19-21,23-28,47H,22H2,1-5H3;6-17,19-27,46H,1-5H3;5-16,18-25,44H,1-4H3;;;;/q4*-1;;;;/b2*45-27+;44-26+;42-25+;;;;.
What are the key properties of 4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?
4-tert-butyl-2-[[2-[6-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum has a molecular weight of 3299.71 g/mol, XLogP of 47.94, 23 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-(3-tert-butylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-(3-methylphenyl)-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-[3-(2-methylpropyl)phenyl]-4-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157366072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).