2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))

C173H162N10O8Pt5SSi-2 — CID 159003848

About 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))

2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)) (PubChem CID 159003848) has the molecular formula C173H162N10O8Pt5SSi-2 and a molecular weight of 3544.80 g/mol. Its IUPAC name is 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))
• PubChem CID: 159003848
• Molecular Formula: C173H162N10O8Pt5SSi-2
• Molecular Weight: 3544.80 g/mol
• Exact Mass: 3542.03
• IUPAC Name: 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))
• SMILES: CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(C(C)(C)C)cc4)cccc3o2)cc(C(C)(C)C)c1.CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc([Si](C)(C)C)cc4)cccc3o2)cc(C(C)(C)C)c1.CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cccc4)cccc3o2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3o2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C38H40N2O.C37H40N2OSi.C34H32N2O.C32H25N2O3.C32H25N2O2S.5Pt/c1-36(2,3)27-19-17-26(18-20-27)30-14-12-16-33-34(30)40-35(41-33)31-13-10-11-15-32(31)39-24-25-21-28(37(4,5)6)23-29(22-25)38(7,8)9;1-36(2,3)27-21-25(22-28(23-27)37(4,5)6)24-38-32-15-11-10-13-31(32)35-39-34-30(14-12-16-33(34)40-35)26-17-19-29(20-18-26)41(7,8)9;1-33(2,3)25-19-23(20-26(21-25)34(4,5)6)22-35-29-17-11-10-15-28(29)32-36-31-27(16-12-18-30(31)37-32)24-13-8-7-9-14-24;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-14-28(30)37-31)29-18-20-9-4-7-13-27(20)36-29;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-13-27(30)36-31)29-18-20-9-4-7-14-28(20)37-29;;;;;/h2*10-17,19-21,23-24H,1-9H3;7-13,15-19,21-22H,1-6H3;2*4-17,19,35H,1-3H3;;;;;/q3*-2;2*-1;;;3*+2/b39-24+;38-24+;35-22+;2*33-19+
• InChIKey: RMHJBOSTZSEKFK-VROYMAPOSA-N
• XLogP: 46.55
• TPSA: 245.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3544.80
LogP ≤ 5	46.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))?

The IUPAC name of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)) (CID 159003848) is 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)).

What is the SMILES notation for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))?

The canonical SMILES for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)) is CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(C(C)(C)C)cc4)cccc3o2)cc(C(C)(C)C)c1.CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc([Si](C)(C)C)cc4)cccc3o2)cc(C(C)(C)C)c1.CC(C)(C)c1[c-]c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cccc4)cccc3o2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3o2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))?

The InChIKey is RMHJBOSTZSEKFK-VROYMAPOSA-N. The full InChI is InChI=1S/C38H40N2O.C37H40N2OSi.C34H32N2O.C32H25N2O3.C32H25N2O2S.5Pt/c1-36(2,3)27-19-17-26(18-20-27)30-14-12-16-33-34(30)40-35(41-33)31-13-10-11-15-32(31)39-24-25-21-28(37(4,5)6)23-29(22-25)38(7,8)9;1-36(2,3)27-21-25(22-28(23-27)37(4,5)6)24-38-32-15-11-10-13-31(32)35-39-34-30(14-12-16-33(34)40-35)26-17-19-29(20-18-26)41(7,8)9;1-33(2,3)25-19-23(20-26(21-25)34(4,5)6)22-35-29-17-11-10-15-28(29)32-36-31-27(16-12-18-30(31)37-32)24-13-8-7-9-14-24;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-14-28(30)37-31)29-18-20-9-4-7-13-27(20)36-29;1-32(2,3)22-15-16-26(35)21(17-22)19-33-25-12-6-5-10-23(25)31-34-30-24(11-8-13-27(30)36-31)29-18-20-9-4-7-14-28(20)37-29;;;;;/h2*10-17,19-21,23-24H,1-9H3;7-13,15-19,21-22H,1-6H3;2*4-17,19,35H,1-3H3;;;;;/q3*-2;2*-1;;;3*+2/b39-24+;38-24+;35-22+;2*33-19+;;;;;.

What are the key properties of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+))?

2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)) has a molecular weight of 3544.80 g/mol, XLogP of 46.55, 21 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;N-[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(3,5-ditert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-phenyl-1,3-benzoxazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-[4-(4-trimethylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]methanimine;platinum;tris(platinum(2+)) is sourced from PubChem (CID 159003848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).