2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum

C182H187N16O11Pt5S-3 — CID 157117746

About 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum

2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum (PubChem CID 157117746) has the molecular formula C182H187N16O11Pt5S-3 and a molecular weight of 3782.06 g/mol. Its IUPAC name is 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum
• PubChem CID: 157117746
• Molecular Formula: C182H187N16O11Pt5S-3
• Molecular Weight: 3782.06 g/mol
• Exact Mass: 3779.25
• IUPAC Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ncc5ccccc45)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccc[n-]4)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4nc5ccccc5o4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4nc5ccccc5s4)cc(C(C)(C)C)cc3o2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C41H42N3O2.C36H40N3O2.C35H39N4O2.C35H33N3O3.C35H33N3O2S.5Pt/c1-39(2,3)27-18-26(37(45)33(20-27)41(7,8)9)23-43-34-17-13-12-16-30(34)38-44-36-31(19-28(40(4,5)6)21-35(36)46-38)32-24-42-22-25-14-10-11-15-29(25)32;1-34(2,3)23-17-22(32(40)27(19-23)36(7,8)9)21-38-28-14-11-10-13-25(28)33-39-31-26(29-15-12-16-37-29)18-24(35(4,5)6)20-30(31)41-33;1-33(2,3)22-16-21(31(40)26(18-22)35(7,8)9)20-36-27-13-11-10-12-24(27)32-38-30-25(28-14-15-37-39-28)17-23(34(4,5)6)19-29(30)41-32;1-34(2,3)22-15-16-28(39)21(17-22)20-36-26-12-8-7-11-24(26)32-38-31-25(18-23(35(4,5)6)19-30(31)41-32)33-37-27-13-9-10-14-29(27)40-33;1-34(2,3)22-15-16-28(39)21(17-22)20-36-26-12-8-7-11-24(26)32-38-31-25(18-23(35(4,5)6)19-29(31)40-32)33-37-27-13-9-10-14-30(27)41-33;;;;;/h10-23,45H,1-9H3;10-21H,1-9H3,(H,38,39,40);10-20H,1-9H3,(H-,36,37,38,39,40);2*7-20,39H,1-6H3;;;;;/q3*-1;;;;;;;/b43-23+;;;2*36-20+
• InChIKey: FSJXSOHGVJYPQT-MGDMVNEGSA-N
• XLogP: 48.35
• TPSA: 386.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3782.06
LogP ≤ 5	48.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

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-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The IUPAC name of 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum (CID 157117746) is 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum.

What is the SMILES notation for 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The canonical SMILES for 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ncc5ccccc45)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccc[n-]4)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4nc5ccccc5o4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4nc5ccccc5s4)cc(C(C)(C)C)cc3o2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The InChIKey is FSJXSOHGVJYPQT-MGDMVNEGSA-N. The full InChI is InChI=1S/C41H42N3O2.C36H40N3O2.C35H39N4O2.C35H33N3O3.C35H33N3O2S.5Pt/c1-39(2,3)27-18-26(37(45)33(20-27)41(7,8)9)23-43-34-17-13-12-16-30(34)38-44-36-31(19-28(40(4,5)6)21-35(36)46-38)32-24-42-22-25-14-10-11-15-29(25)32;1-34(2,3)23-17-22(32(40)27(19-23)36(7,8)9)21-38-28-14-11-10-13-25(28)33-39-31-26(29-15-12-16-37-29)18-24(35(4,5)6)20-30(31)41-33;1-33(2,3)22-16-21(31(40)26(18-22)35(7,8)9)20-36-27-13-11-10-12-24(27)32-38-30-25(28-14-15-37-39-28)17-23(34(4,5)6)19-29(30)41-32;1-34(2,3)22-15-16-28(39)21(17-22)20-36-26-12-8-7-11-24(26)32-38-31-25(18-23(35(4,5)6)19-30(31)41-32)33-37-27-13-9-10-14-29(27)40-33;1-34(2,3)22-15-16-28(39)21(17-22)20-36-26-12-8-7-11-24(26)32-38-31-25(18-23(35(4,5)6)19-29(31)40-32)33-37-27-13-9-10-14-30(27)41-33;;;;;/h10-23,45H,1-9H3;10-21H,1-9H3,(H,38,39,40);10-20H,1-9H3,(H-,36,37,38,39,40);2*7-20,39H,1-6H3;;;;;/q3*-1;;;;;;;/b43-23+;;;2*36-20+;;;;;.

What are the key properties of 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum?

2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum has a molecular weight of 3782.06 g/mol, XLogP of 48.35, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157117746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).