ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol

C167H218N18O20S4 — CID 159067748

IUPACethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol
SMILESC/N=N/c1c(C)[nH]n(-c2ccc(C(=O)Nc3ccccc3)cc2)c1=O.C/N=N/c1c(C)cc2c(S(=O)(=O)O)c(C)ccc2c1O.C/N=N/c1c(C)cc2cc(C)c(C)cc2c1O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CS(=O)(=O)O.CS(=O)(=O)O.Cc1cc2c(S(=O)(=O)O)c(C)ccc2c(O)c1/N=N/c1ccccc1.Cc1cc2cc(C)c(/N=N/c3ccccc3)c(O)c2cc1C.Cc1cccc(/N=N/c2c(C)[nH]n(-c3ccc(C(=O)Nc4ccccc4)cc3)c2=O)c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C24H21N5O2.C19H18N2O.C18H17N5O2.C18H16N2O4S.C14H16N2O.C13H14N2O4S.3C10H8.3C3H8.10C2H6.2CH4O3S/c1-16-7-6-10-20(15-16)26-27-22-17(2)28-29(24(22)31)21-13-11-18(12-14-21)23(30)25-19-8-4-3-5-9-19;1-12-9-15-10-14(3)18(19(22)17(15)11-13(12)2)21-20-16-7-5-4-6-8-16;1-12-16(21-19-2)18(25)23(22-12)15-10-8-13(9-11-15)17(24)20-14-6-4-3-5-7-14;1-11-8-9-14-15(18(11)25(22,23)24)10-12(2)16(17(14)21)20-19-13-6-4-3-5-7-13;1-8-5-11-6-10(3)13(16-15-4)14(17)12(11)7-9(8)2;1-7-4-5-9-10(13(7)20(17,18)19)6-8(2)11(12(9)16)15-14-3;3*1-2-6-10-8-4-3-7-9(10)5-1;3*1-3-2;10*1-2;2*1-5(2,3)4/h3-15,28H,1-2H3,(H,25,30);4-11,22H,1-3H3;3-11,22H,1-2H3,(H,20,24);3-10,21H,1-2H3,(H,22,23,24);5-7,17H,1-4H3;4-6,16H,1-3H3,(H,17,18,19);3*1-8H;3*3H2,1-2H3;10*1-2H3;2*1H3,(H,2,3,4)/b27-26+;21-20+;21-19+;20-19+;16-15+;15-14+;;;;;;;;;;;;;;;;;;
InChIKeyNVUIRUIMJDFVRP-JUTSNAKVSA-N
MW2925.95 g/mol
LogP48.95
Rot. Bonds17

About ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol

ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol (PubChem CID 159067748) has the molecular formula C167H218N18O20S4 and a molecular weight of 2925.95 g/mol. Its IUPAC name is ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol.

Molecular Properties

Compound Nameethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol
PubChem CID159067748
Molecular FormulaC167H218N18O20S4
Molecular Weight2925.95 g/mol
Exact Mass2923.55
IUPAC Nameethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol
SMILESC/N=N/c1c(C)[nH]n(-c2ccc(C(=O)Nc3ccccc3)cc2)c1=O.C/N=N/c1c(C)cc2c(S(=O)(=O)O)c(C)ccc2c1O.C/N=N/c1c(C)cc2cc(C)c(C)cc2c1O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CS(=O)(=O)O.CS(=O)(=O)O.Cc1cc2c(S(=O)(=O)O)c(C)ccc2c(O)c1/N=N/c1ccccc1.Cc1cc2cc(C)c(/N=N/c3ccccc3)c(O)c2cc1C.Cc1cccc(/N=N/c2c(C)[nH]n(-c3ccc(C(=O)Nc4ccccc4)cc3)c2=O)c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C24H21N5O2.C19H18N2O.C18H17N5O2.C18H16N2O4S.C14H16N2O.C13H14N2O4S.3C10H8.3C3H8.10C2H6.2CH4O3S/c1-16-7-6-10-20(15-16)26-27-22-17(2)28-29(24(22)31)21-13-11-18(12-14-21)23(30)25-19-8-4-3-5-9-19;1-12-9-15-10-14(3)18(19(22)17(15)11-13(12)2)21-20-16-7-5-4-6-8-16;1-12-16(21-19-2)18(25)23(22-12)15-10-8-13(9-11-15)17(24)20-14-6-4-3-5-7-14;1-11-8-9-14-15(18(11)25(22,23)24)10-12(2)16(17(14)21)20-19-13-6-4-3-5-7-13;1-8-5-11-6-10(3)13(16-15-4)14(17)12(11)7-9(8)2;1-7-4-5-9-10(13(7)20(17,18)19)6-8(2)11(12(9)16)15-14-3;3*1-2-6-10-8-4-3-7-9(10)5-1;3*1-3-2;10*1-2;2*1-5(2,3)4/h3-15,28H,1-2H3,(H,25,30);4-11,22H,1-3H3;3-11,22H,1-2H3,(H,20,24);3-10,21H,1-2H3,(H,22,23,24);5-7,17H,1-4H3;4-6,16H,1-3H3,(H,17,18,19);3*1-8H;3*3H2,1-2H3;10*1-2H3;2*1H3,(H,2,3,4)/b27-26+;21-20+;21-19+;20-19+;16-15+;15-14+;;;;;;;;;;;;;;;;;;
InChIKeyNVUIRUIMJDFVRP-JUTSNAKVSA-N
XLogP48.95
TPSA580.50 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002925.95
LogP ≤ 548.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol with MolForge

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Related Compounds

4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 135564870
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011
ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
CID 136648699
butane;ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 158181040
5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one
CID 748787
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
5-methyl-4-[(3-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 2838724
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
trimethyl-[3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]azanium
CID 135800784

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol?
The IUPAC name of ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol (CID 159067748) is ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol.
What is the SMILES notation for ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol?
The canonical SMILES for ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol is C/N=N/c1c(C)[nH]n(-c2ccc(C(=O)Nc3ccccc3)cc2)c1=O.C/N=N/c1c(C)cc2c(S(=O)(=O)O)c(C)ccc2c1O.C/N=N/c1c(C)cc2cc(C)c(C)cc2c1O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CS(=O)(=O)O.CS(=O)(=O)O.Cc1cc2c(S(=O)(=O)O)c(C)ccc2c(O)c1/N=N/c1ccccc1.Cc1cc2cc(C)c(/N=N/c3ccccc3)c(O)c2cc1C.Cc1cccc(/N=N/c2c(C)[nH]n(-c3ccc(C(=O)Nc4ccccc4)cc3)c2=O)c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol?
The InChIKey is NVUIRUIMJDFVRP-JUTSNAKVSA-N. The full InChI is InChI=1S/C24H21N5O2.C19H18N2O.C18H17N5O2.C18H16N2O4S.C14H16N2O.C13H14N2O4S.3C10H8.3C3H8.10C2H6.2CH4O3S/c1-16-7-6-10-20(15-16)26-27-22-17(2)28-29(24(22)31)21-13-11-18(12-14-21)23(30)25-19-8-4-3-5-9-19;1-12-9-15-10-14(3)18(19(22)17(15)11-13(12)2)21-20-16-7-5-4-6-8-16;1-12-16(21-19-2)18(25)23(22-12)15-10-8-13(9-11-15)17(24)20-14-6-4-3-5-7-14;1-11-8-9-14-15(18(11)25(22,23)24)10-12(2)16(17(14)21)20-19-13-6-4-3-5-7-13;1-8-5-11-6-10(3)13(16-15-4)14(17)12(11)7-9(8)2;1-7-4-5-9-10(13(7)20(17,18)19)6-8(2)11(12(9)16)15-14-3;3*1-2-6-10-8-4-3-7-9(10)5-1;3*1-3-2;10*1-2;2*1-5(2,3)4/h3-15,28H,1-2H3,(H,25,30);4-11,22H,1-3H3;3-11,22H,1-2H3,(H,20,24);3-10,21H,1-2H3,(H,22,23,24);5-7,17H,1-4H3;4-6,16H,1-3H3,(H,17,18,19);3*1-8H;3*3H2,1-2H3;10*1-2H3;2*1H3,(H,2,3,4)/b27-26+;21-20+;21-19+;20-19+;16-15+;15-14+;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol?
ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol has a molecular weight of 2925.95 g/mol, XLogP of 48.95, 17 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-2,7-dimethyl-6-(methyldiazenyl)naphthalene-1-sulfonic acid;5-hydroxy-2,7-dimethyl-6-phenyldiazenylnaphthalene-1-sulfonic acid;methanesulfonic acid;4-[5-methyl-4-(methyldiazenyl)-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;4-[5-methyl-4-[(3-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-N-phenylbenzamide;naphthalene;propane;3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol;3,6,7-trimethyl-2-phenyldiazenylnaphthalen-1-ol is sourced from PubChem (CID 159067748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).