2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum

C125H106F10Ir6N8O5Pt-8 — CID 159588704

IUPAC2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum
SMILESCC(=O)C=C(C)O.CC(C)(C)c1cc(/C=N/c2ccccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt]
InChIInChI=1S/C36H48N2O2.C17H8F2.C12H9FNO.2C11H6F2N.3C11H7FN.C5H8O2.6Ir.Pt/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;;/h13-22,39-40H,1-12H3;1-6,9-10H;1,3-7,15H,8H2;2*1-4,6-7H;3*1-4,6-8H;3,6H,1-2H3;;;;;;;/q;-2;6*-1;;;;;;;;/b37-21+,38-22+;;;;;;;;;;;;;;;
InChIKeyBRPZQCVNCAWFHY-WXFAQDAYSA-N
MW3338.63 g/mol
LogP31.27
Rot. Bonds12

About 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum

2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum (PubChem CID 159588704) has the molecular formula C125H106F10Ir6N8O5Pt-8 and a molecular weight of 3338.63 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum
PubChem CID159588704
Molecular FormulaC125H106F10Ir6N8O5Pt-8
Molecular Weight3338.63 g/mol
Exact Mass3341.56
IUPAC Name2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum
SMILESCC(=O)C=C(C)O.CC(C)(C)c1cc(/C=N/c2ccccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt]
InChIInChI=1S/C36H48N2O2.C17H8F2.C12H9FNO.2C11H6F2N.3C11H7FN.C5H8O2.6Ir.Pt/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;;/h13-22,39-40H,1-12H3;1-6,9-10H;1,3-7,15H,8H2;2*1-4,6-7H;3*1-4,6-8H;3,6H,1-2H3;;;;;;;/q;-2;6*-1;;;;;;;;/b37-21+,38-22+;;;;;;;;;;;;;;;
InChIKeyBRPZQCVNCAWFHY-WXFAQDAYSA-N
XLogP31.27
TPSA200.05 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003338.63
LogP ≤ 531.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum with MolForge

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Launch Full Analysis

Related Compounds

CID 157216134
CID 157216134
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
CID 157342959
CID 157342959
CID 157347418
CID 157347418
2-Acetyl-3-hydroxycyclohex-2-en-1-one;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;6-phenylphenanthridine;2-phenyl-3-phenylquinoxaline;platinum
CID 157373570
CID 157383308
CID 157383308
CID 157434396
CID 157434396
CID 157446114
CID 157446114
2,4-Ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);4-hydroxypent-3-en-2-one;tetrakis(iridium);platinum
CID 157450375
CID 157490248
CID 157490248
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924
CID 157751590
CID 157751590

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum?
The IUPAC name of 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum (CID 159588704) is 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum is CC(=O)C=C(C)O.CC(C)(C)c1cc(/C=N/c2ccccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum?
The InChIKey is BRPZQCVNCAWFHY-WXFAQDAYSA-N. The full InChI is InChI=1S/C36H48N2O2.C17H8F2.C12H9FNO.2C11H6F2N.3C11H7FN.C5H8O2.6Ir.Pt/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;;/h13-22,39-40H,1-12H3;1-6,9-10H;1,3-7,15H,8H2;2*1-4,6-7H;3*1-4,6-8H;3,6H,1-2H3;;;;;;;/q;-2;6*-1;;;;;;;;/b37-21+,38-22+;;;;;;;;;;;;;;;.
What are the key properties of 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum?
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum has a molecular weight of 3338.63 g/mol, XLogP of 31.27, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum is sourced from PubChem (CID 159588704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).