(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one

C195H231N31O16 — CID 172961408

IUPAC(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one
SMILESCC1=NC(Cc2ccccc2)C(=O)/C1=N\Nc1cccc(CCc2c(C)cccc2C)c1O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(/C=C/c3ccccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(C#Cc3c(C)cccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3ccccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3c(C)cccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O
InChIInChI=1S/C28H29N3O2.C25H28N4O2.3C24H30N4O2.C24H28N4O2.2C23H28N4O2/c1-18-9-7-10-19(2)23(18)16-15-22-13-8-14-24(27(22)32)30-31-26-20(3)29-25(28(26)33)17-21-11-5-4-6-12-21;1-5-6-7-16-29-25(31)23(19(4)28-29)27-26-22-13-9-12-20(24(22)30)14-15-21-17(2)10-8-11-18(21)3;1-5-6-15-28-24(30)22(18(4)27-28)26-25-21-12-8-11-19(23(21)29)13-14-20-16(2)9-7-10-17(20)3;1-5-6-14-28-24(30)22(18(4)27-28)26-25-21-9-7-8-19(23(21)29)12-13-20-15-16(2)10-11-17(20)3;2*1-4-5-8-16-28-24(30)22(18(3)27-28)26-25-21-13-9-12-20(23(21)29)15-14-19-11-7-6-10-17(19)2;2*1-5-13-27-23(29)21(17(4)26-27)25-24-20-8-6-7-18(22(20)28)11-12-19-14-15(2)9-10-16(19)3/h4-14,25,30,32H,15-17H2,1-3H3;8-13,28,30H,5-7,16H2,1-4H3;7-12,27,29H,5-6,13-15H2,1-4H3;7-11,15,27,29H,5-6,12-14H2,1-4H3;6-7,9-13,27,29H,4-5,8,14-16H2,1-3H3;6-7,9-15,27,29H,4-5,8,16H2,1-3H3;2*6-10,14,26,28H,5,11-13H2,1-4H3/b31-26-;27-26+;3*26-25+;15-14+,26-25+;2*25-24+
InChIKeyAITRWZKKHPBJAB-SHEXPHFZSA-N
MW3265.19 g/mol
LogP45.65
Rot. Bonds60

About (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one

(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one (PubChem CID 172961408) has the molecular formula C195H231N31O16 and a molecular weight of 3265.19 g/mol. Its IUPAC name is (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one
PubChem CID172961408
Molecular FormulaC195H231N31O16
Molecular Weight3265.19 g/mol
Exact Mass3262.82
IUPAC Name(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one
SMILESCC1=NC(Cc2ccccc2)C(=O)/C1=N\Nc1cccc(CCc2c(C)cccc2C)c1O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(/C=C/c3ccccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(C#Cc3c(C)cccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3ccccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3c(C)cccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O
InChIInChI=1S/C28H29N3O2.C25H28N4O2.3C24H30N4O2.C24H28N4O2.2C23H28N4O2/c1-18-9-7-10-19(2)23(18)16-15-22-13-8-14-24(27(22)32)30-31-26-20(3)29-25(28(26)33)17-21-11-5-4-6-12-21;1-5-6-7-16-29-25(31)23(19(4)28-29)27-26-22-13-9-12-20(24(22)30)14-15-21-17(2)10-8-11-18(21)3;1-5-6-15-28-24(30)22(18(4)27-28)26-25-21-12-8-11-19(23(21)29)13-14-20-16(2)9-7-10-17(20)3;1-5-6-14-28-24(30)22(18(4)27-28)26-25-21-9-7-8-19(23(21)29)12-13-20-15-16(2)10-11-17(20)3;2*1-4-5-8-16-28-24(30)22(18(3)27-28)26-25-21-13-9-12-20(23(21)29)15-14-19-11-7-6-10-17(19)2;2*1-5-13-27-23(29)21(17(4)26-27)25-24-20-8-6-7-18(22(20)28)11-12-19-14-15(2)9-10-16(19)3/h4-14,25,30,32H,15-17H2,1-3H3;8-13,28,30H,5-7,16H2,1-4H3;7-12,27,29H,5-6,13-15H2,1-4H3;7-11,15,27,29H,5-6,12-14H2,1-4H3;6-7,9-13,27,29H,4-5,8,14-16H2,1-3H3;6-7,9-15,27,29H,4-5,8,16H2,1-3H3;2*6-10,14,26,28H,5,11-13H2,1-4H3/b31-26-;27-26+;3*26-25+;15-14+,26-25+;2*25-24+
InChIKeyAITRWZKKHPBJAB-SHEXPHFZSA-N
XLogP45.65
TPSA653.23 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds60
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003265.19
LogP ≤ 545.65
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one?
The IUPAC name of (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one (CID 172961408) is (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one.
What is the SMILES notation for (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one?
The canonical SMILES for (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one is CC1=NC(Cc2ccccc2)C(=O)/C1=N\Nc1cccc(CCc2c(C)cccc2C)c1O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(/C=C/c3ccccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(C#Cc3c(C)cccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3ccccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3c(C)cccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.
What is the InChIKey of (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one?
The InChIKey is AITRWZKKHPBJAB-SHEXPHFZSA-N. The full InChI is InChI=1S/C28H29N3O2.C25H28N4O2.3C24H30N4O2.C24H28N4O2.2C23H28N4O2/c1-18-9-7-10-19(2)23(18)16-15-22-13-8-14-24(27(22)32)30-31-26-20(3)29-25(28(26)33)17-21-11-5-4-6-12-21;1-5-6-7-16-29-25(31)23(19(4)28-29)27-26-22-13-9-12-20(24(22)30)14-15-21-17(2)10-8-11-18(21)3;1-5-6-15-28-24(30)22(18(4)27-28)26-25-21-12-8-11-19(23(21)29)13-14-20-16(2)9-7-10-17(20)3;1-5-6-14-28-24(30)22(18(4)27-28)26-25-21-9-7-8-19(23(21)29)12-13-20-15-16(2)10-11-17(20)3;2*1-4-5-8-16-28-24(30)22(18(3)27-28)26-25-21-13-9-12-20(23(21)29)15-14-19-11-7-6-10-17(19)2;2*1-5-13-27-23(29)21(17(4)26-27)25-24-20-8-6-7-18(22(20)28)11-12-19-14-15(2)9-10-16(19)3/h4-14,25,30,32H,15-17H2,1-3H3;8-13,28,30H,5-7,16H2,1-4H3;7-12,27,29H,5-6,13-15H2,1-4H3;7-11,15,27,29H,5-6,12-14H2,1-4H3;6-7,9-13,27,29H,4-5,8,14-16H2,1-3H3;6-7,9-15,27,29H,4-5,8,16H2,1-3H3;2*6-10,14,26,28H,5,11-13H2,1-4H3/b31-26-;27-26+;3*26-25+;15-14+,26-25+;2*25-24+.
What are the key properties of (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one?
(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one has a molecular weight of 3265.19 g/mol, XLogP of 45.65, 60 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one is sourced from PubChem (CID 172961408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).