4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum

C185H178N8O8Pt4Si-4 — CID 157387801

IUPAC4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc(-c5cccc6ccccc56)c4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc(-c5ccccc5)c4)cc(C(C)(C)C)cc3o2)c1.CC(C)c1cc(C(C)C)c(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc(C(C)(C)C)ccc5O)nc34)cc2)c(C(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C52H47N2O2Si.C49H55N2O2.C44H39N2O2.C40H37N2O2.4Pt/c1-51(2,3)38-28-31-47(55)37(32-38)35-53-46-25-17-16-24-44(46)50-54-49-45(33-39(52(4,5)6)34-48(49)56-50)36-26-29-43(30-27-36)57(40-18-10-7-11-19-40,41-20-12-8-13-21-41)42-22-14-9-15-23-42;1-29(2)34-24-39(30(3)4)45(40(25-34)31(5)6)33-19-17-32(18-20-33)41-26-37(49(10,11)12)27-44-46(41)51-47(53-44)38-15-13-14-16-42(38)50-28-35-23-36(48(7,8)9)21-22-43(35)52;1-43(2,3)32-21-22-39(47)31(24-32)27-45-38-20-10-9-18-36(38)42-46-41-37(25-33(44(4,5)6)26-40(41)48-42)30-16-11-15-29(23-30)35-19-12-14-28-13-7-8-17-34(28)35;1-39(2,3)30-19-20-35(43)29(22-30)25-41-34-18-11-10-17-32(34)38-42-37-33(23-31(40(4,5)6)24-36(37)44-38)28-16-12-15-27(21-28)26-13-8-7-9-14-26;;;;/h7-26,28-35,55H,1-6H3;13-17,19-31,52H,1-12H3;7-15,17-27,47H,1-6H3;7-15,17-25,43H,1-6H3;;;;/q4*-1;;;;/b53-35+;50-28+;45-27+;41-25+;;;;
InChIKeyCSHOAKNAINCEHF-ZQHWGCITSA-N
MW3449.90 g/mol
LogP46.94
Rot. Bonds26

About 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum

4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 157387801) has the molecular formula C185H178N8O8Pt4Si-4 and a molecular weight of 3449.90 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
PubChem CID157387801
Molecular FormulaC185H178N8O8Pt4Si-4
Molecular Weight3449.90 g/mol
Exact Mass3447.22
IUPAC Name4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum
SMILESCC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc(-c5cccc6ccccc56)c4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc(-c5ccccc5)c4)cc(C(C)(C)C)cc3o2)c1.CC(C)c1cc(C(C)C)c(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc(C(C)(C)C)ccc5O)nc34)cc2)c(C(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C52H47N2O2Si.C49H55N2O2.C44H39N2O2.C40H37N2O2.4Pt/c1-51(2,3)38-28-31-47(55)37(32-38)35-53-46-25-17-16-24-44(46)50-54-49-45(33-39(52(4,5)6)34-48(49)56-50)36-26-29-43(30-27-36)57(40-18-10-7-11-19-40,41-20-12-8-13-21-41)42-22-14-9-15-23-42;1-29(2)34-24-39(30(3)4)45(40(25-34)31(5)6)33-19-17-32(18-20-33)41-26-37(49(10,11)12)27-44-46(41)51-47(53-44)38-15-13-14-16-42(38)50-28-35-23-36(48(7,8)9)21-22-43(35)52;1-43(2,3)32-21-22-39(47)31(24-32)27-45-38-20-10-9-18-36(38)42-46-41-37(25-33(44(4,5)6)26-40(41)48-42)30-16-11-15-29(23-30)35-19-12-14-28-13-7-8-17-34(28)35;1-39(2,3)30-19-20-35(43)29(22-30)25-41-34-18-11-10-17-32(34)38-42-37-33(23-31(40(4,5)6)24-36(37)44-38)28-16-12-15-27(21-28)26-13-8-7-9-14-26;;;;/h7-26,28-35,55H,1-6H3;13-17,19-31,52H,1-12H3;7-15,17-27,47H,1-6H3;7-15,17-25,43H,1-6H3;;;;/q4*-1;;;;/b53-35+;50-28+;45-27+;41-25+;;;;
InChIKeyCSHOAKNAINCEHF-ZQHWGCITSA-N
XLogP46.94
TPSA234.48 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003449.90
LogP ≤ 546.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-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-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum (CID 157387801) is 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-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([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc(-c5cccc6ccccc56)c4)cc(C(C)(C)C)cc3o2)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc(-c5ccccc5)c4)cc(C(C)(C)C)cc3o2)c1.CC(C)c1cc(C(C)C)c(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc(C(C)(C)C)ccc5O)nc34)cc2)c(C(C)C)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
The InChIKey is CSHOAKNAINCEHF-ZQHWGCITSA-N. The full InChI is InChI=1S/C52H47N2O2Si.C49H55N2O2.C44H39N2O2.C40H37N2O2.4Pt/c1-51(2,3)38-28-31-47(55)37(32-38)35-53-46-25-17-16-24-44(46)50-54-49-45(33-39(52(4,5)6)34-48(49)56-50)36-26-29-43(30-27-36)57(40-18-10-7-11-19-40,41-20-12-8-13-21-41)42-22-14-9-15-23-42;1-29(2)34-24-39(30(3)4)45(40(25-34)31(5)6)33-19-17-32(18-20-33)41-26-37(49(10,11)12)27-44-46(41)51-47(53-44)38-15-13-14-16-42(38)50-28-35-23-36(48(7,8)9)21-22-43(35)52;1-43(2,3)32-21-22-39(47)31(24-32)27-45-38-20-10-9-18-36(38)42-46-41-37(25-33(44(4,5)6)26-40(41)48-42)30-16-11-15-29(23-30)35-19-12-14-28-13-7-8-17-34(28)35;1-39(2,3)30-19-20-35(43)29(22-30)25-41-34-18-11-10-17-32(34)38-42-37-33(23-31(40(4,5)6)24-36(37)44-38)28-16-12-15-27(21-28)26-13-8-7-9-14-26;;;;/h7-26,28-35,55H,1-6H3;13-17,19-31,52H,1-12H3;7-15,17-27,47H,1-6H3;7-15,17-25,43H,1-6H3;;;;/q4*-1;;;;/b53-35+;50-28+;45-27+;41-25+;;;;.
What are the key properties of 4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum?
4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum has a molecular weight of 3449.90 g/mol, XLogP of 46.94, 26 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-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 157387801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).