4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum

C175H159N9O8Pt4-4 — CID 157129563

About 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum

4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 157129563) has the molecular formula C175H159N9O8Pt4-4 and a molecular weight of 3296.56 g/mol. Its IUPAC name is 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum.

Molecular Properties

• Compound Name: 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
• PubChem CID: 157129563
• Molecular Formula: C175H159N9O8Pt4-4
• Molecular Weight: 3296.56 g/mol
• Exact Mass: 3294.09
• IUPAC Name: 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(-c5ccc(C#N)cc5)c5ccccc45)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(-c5ccccc5)c5ccccc45)cc(C(C)(C)C)cc3o2)c1.CC(C)c1ccc(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc(C(C)(C)C)ccc5O)nc34)c3ccccc23)cc1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc3oc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)nc23)c2ccccc12.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C47H45N2O2.C45H38N3O2.C44H39N2O2.C39H37N2O2.4Pt/c1-29(2)30-17-19-31(20-18-30)35-22-23-38(37-14-10-9-13-36(35)37)40-26-34(47(6,7)8)27-43-44(40)49-45(51-43)39-15-11-12-16-41(39)48-28-32-25-33(46(3,4)5)21-24-42(32)50;1-44(2,3)31-19-22-40(49)30(23-31)27-47-39-14-10-9-13-37(39)43-48-42-38(24-32(45(4,5)6)25-41(42)50-43)36-21-20-33(34-11-7-8-12-35(34)36)29-17-15-28(26-46)16-18-29;1-43(2,3)30-20-23-39(47)29(24-30)27-45-38-19-13-12-18-36(38)42-46-41-37(25-31(44(4,5)6)26-40(41)48-42)35-22-21-32(28-14-8-7-9-15-28)33-16-10-11-17-34(33)35;1-24-16-18-30(29-13-9-8-12-28(24)29)32-21-27(39(5,6)7)22-35-36(32)41-37(43-35)31-14-10-11-15-33(31)40-23-25-20-26(38(2,3)4)17-19-34(25)42;;;;/h9-22,24-29,50H,1-8H3;7-20,22-25,27,49H,1-6H3;7-21,23-27,47H,1-6H3;8-17,19-23,42H,1-7H3;;;;/q4*-1;;;;/b48-28+;47-27+;45-27+;40-23+
• InChIKey: FVRFHKPBWJSOPI-VGTHZJACSA-N
• XLogP: 46.96
• TPSA: 258.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3296.56
LogP ≤ 5	46.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?

The IUPAC name of 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum (CID 157129563) is 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum.

What is the SMILES notation for 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?

The canonical SMILES for 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(-c5ccc(C#N)cc5)c5ccccc45)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(-c5ccccc5)c5ccccc45)cc(C(C)(C)C)cc3o2)c1.CC(C)c1ccc(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc(C(C)(C)C)ccc5O)nc34)c3ccccc23)cc1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc3oc(-c4ccccc4/N=C/c4cc(C(C)(C)C)ccc4O)nc23)c2ccccc12.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?

The InChIKey is FVRFHKPBWJSOPI-VGTHZJACSA-N. The full InChI is InChI=1S/C47H45N2O2.C45H38N3O2.C44H39N2O2.C39H37N2O2.4Pt/c1-29(2)30-17-19-31(20-18-30)35-22-23-38(37-14-10-9-13-36(35)37)40-26-34(47(6,7)8)27-43-44(40)49-45(51-43)39-15-11-12-16-41(39)48-28-32-25-33(46(3,4)5)21-24-42(32)50;1-44(2,3)31-19-22-40(49)30(23-31)27-47-39-14-10-9-13-37(39)43-48-42-38(24-32(45(4,5)6)25-41(42)50-43)36-21-20-33(34-11-7-8-12-35(34)36)29-17-15-28(26-46)16-18-29;1-43(2,3)30-20-23-39(47)29(24-30)27-45-38-19-13-12-18-36(38)42-46-41-37(25-31(44(4,5)6)26-40(41)48-42)35-22-21-32(28-14-8-7-9-15-28)33-16-10-11-17-34(33)35;1-24-16-18-30(29-13-9-8-12-28(24)29)32-21-27(39(5,6)7)22-35-36(32)41-37(43-35)31-14-10-11-15-33(31)40-23-25-20-26(38(2,3)4)17-19-34(25)42;;;;/h9-22,24-29,50H,1-8H3;7-20,22-25,27,49H,1-6H3;7-21,23-27,47H,1-6H3;8-17,19-23,42H,1-7H3;;;;/q4*-1;;;;/b48-28+;47-27+;45-27+;40-23+;;;;.

What are the key properties of 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?

4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum has a molecular weight of 3296.56 g/mol, XLogP of 46.96, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzoxazol-4-yl]-3H-naphthalen-3-id-1-yl]benzonitrile;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-methyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-phenyl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-propan-2-ylphenyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).