4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum

C188H140N8O8Pt4-4 — CID 157060816

IUPAC4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4ccc5ccccc5c4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4cccc(-c5ccccc5)c4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4cccc5ccccc45)cc3o2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C54H39N2O2.C46H35N2O2.2C44H33N2O2.4Pt/c1-54(2,3)40-27-28-50(57)39(29-40)33-55-49-22-11-10-20-46(49)53-56-52-48(44-21-12-15-35-13-4-6-16-41(35)44)31-38(32-51(52)58-53)34-23-25-36(26-24-34)47-30-37-14-5-7-17-42(37)43-18-8-9-19-45(43)47;1-46(2,3)36-23-24-42(49)35(26-36)29-47-41-22-10-9-20-39(41)45-48-44-40(38-21-12-16-31-15-7-8-19-37(31)38)27-34(28-43(44)50-45)33-18-11-17-32(25-33)30-13-5-4-6-14-30;1-44(2,3)32-22-23-40(47)31(24-32)27-45-39-21-9-8-18-37(39)43-46-42-38(36-20-11-15-29-13-5-7-17-34(29)36)25-30(26-41(42)48-43)35-19-10-14-28-12-4-6-16-33(28)35;1-44(2,3)34-21-22-40(47)33(24-34)27-45-39-18-9-8-16-37(39)43-46-42-38(36-17-10-14-29-12-6-7-15-35(29)36)25-32(26-41(42)48-43)31-20-19-28-11-4-5-13-30(28)23-31;;;;/h4-20,22-33,57H,1-3H3;4-20,22-29,49H,1-3H3;4-19,21-27,47H,1-3H3;4-16,18-27,47H,1-3H3;;;;/q4*-1;;;;/b55-33+;47-29+;2*45-27+;;;;
InChIKeyDZSCALXMLVNJHP-IFRKUQNUSA-N
MW3419.55 g/mol
LogP50.08
Rot. Bonds22

About 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum

4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 157060816) has the molecular formula C188H140N8O8Pt4-4 and a molecular weight of 3419.55 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
PubChem CID157060816
Molecular FormulaC188H140N8O8Pt4-4
Molecular Weight3419.55 g/mol
Exact Mass3416.94
IUPAC Name4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4ccc5ccccc5c4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4cccc(-c5ccccc5)c4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4cccc5ccccc45)cc3o2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C54H39N2O2.C46H35N2O2.2C44H33N2O2.4Pt/c1-54(2,3)40-27-28-50(57)39(29-40)33-55-49-22-11-10-20-46(49)53-56-52-48(44-21-12-15-35-13-4-6-16-41(35)44)31-38(32-51(52)58-53)34-23-25-36(26-24-34)47-30-37-14-5-7-17-42(37)43-18-8-9-19-45(43)47;1-46(2,3)36-23-24-42(49)35(26-36)29-47-41-22-10-9-20-39(41)45-48-44-40(38-21-12-16-31-15-7-8-19-37(31)38)27-34(28-43(44)50-45)33-18-11-17-32(25-33)30-13-5-4-6-14-30;1-44(2,3)32-22-23-40(47)31(24-32)27-45-39-21-9-8-18-37(39)43-46-42-38(36-20-11-15-29-13-5-7-17-34(29)36)25-30(26-41(42)48-43)35-19-10-14-28-12-4-6-16-33(28)35;1-44(2,3)34-21-22-40(47)33(24-34)27-45-39-18-9-8-16-37(39)43-46-42-38(36-17-10-14-29-12-6-7-15-35(29)36)25-32(26-41(42)48-43)31-20-19-28-11-4-5-13-30(28)23-31;;;;/h4-20,22-33,57H,1-3H3;4-20,22-29,49H,1-3H3;4-19,21-27,47H,1-3H3;4-16,18-27,47H,1-3H3;;;;/q4*-1;;;;/b55-33+;47-29+;2*45-27+;;;;
InChIKeyDZSCALXMLVNJHP-IFRKUQNUSA-N
XLogP50.08
TPSA234.48 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003419.55
LogP ≤ 550.08
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-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-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum (CID 157060816) is 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4ccc5ccccc5c4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4cccc(-c5ccccc5)c4)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ccccc45)cc(-c4cccc5ccccc45)cc3o2)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The InChIKey is DZSCALXMLVNJHP-IFRKUQNUSA-N. The full InChI is InChI=1S/C54H39N2O2.C46H35N2O2.2C44H33N2O2.4Pt/c1-54(2,3)40-27-28-50(57)39(29-40)33-55-49-22-11-10-20-46(49)53-56-52-48(44-21-12-15-35-13-4-6-16-41(35)44)31-38(32-51(52)58-53)34-23-25-36(26-24-34)47-30-37-14-5-7-17-42(37)43-18-8-9-19-45(43)47;1-46(2,3)36-23-24-42(49)35(26-36)29-47-41-22-10-9-20-39(41)45-48-44-40(38-21-12-16-31-15-7-8-19-37(31)38)27-34(28-43(44)50-45)33-18-11-17-32(25-33)30-13-5-4-6-14-30;1-44(2,3)32-22-23-40(47)31(24-32)27-45-39-21-9-8-18-37(39)43-46-42-38(36-20-11-15-29-13-5-7-17-34(29)36)25-30(26-41(42)48-43)35-19-10-14-28-12-4-6-16-33(28)35;1-44(2,3)34-21-22-40(47)33(24-34)27-45-39-18-9-8-16-37(39)43-46-42-38(36-17-10-14-29-12-6-7-15-35(29)36)25-32(26-41(42)48-43)31-20-19-28-11-4-5-13-30(28)23-31;;;;/h4-20,22-33,57H,1-3H3;4-20,22-29,49H,1-3H3;4-19,21-27,47H,1-3H3;4-16,18-27,47H,1-3H3;;;;/q4*-1;;;;/b55-33+;47-29+;2*45-27+;;;;.
What are the key properties of 4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum has a molecular weight of 3419.55 g/mol, XLogP of 50.08, 22 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-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-naphthalen-2-yl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(4-phenanthren-9-ylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-(2H-naphthalen-2-id-1-yl)-6-(3-phenylphenyl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157060816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).