(4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol

C40H36N8O2 — CID 158444452

IUPAC(4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESCCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1C.Cc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H20N4O.C19H16N4O/c1-3-26-21-14-13-20(15-16(21)2)25-24-19-11-9-18(10-12-19)23-22-17-7-5-4-6-8-17;1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h4-15H,3H2,1-2H3;2-13,24H,1H3/b23-22+,25-24+;21-20+,23-22+
InChIKeyHDFGJJKJXCKJKL-ZIFQKSGASA-N
MW660.78 g/mol
LogP13.76
Rot. Bonds10

About (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol

(4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol (PubChem CID 158444452) has the molecular formula C40H36N8O2 and a molecular weight of 660.78 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
PubChem CID158444452
Molecular FormulaC40H36N8O2
Molecular Weight660.78 g/mol
Exact Mass660.30
IUPAC Name(4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESCCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1C.Cc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H20N4O.C19H16N4O/c1-3-26-21-14-13-20(15-16(21)2)25-24-19-11-9-18(10-12-19)23-22-17-7-5-4-6-8-17;1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h4-15H,3H2,1-2H3;2-13,24H,1H3/b23-22+,25-24+;21-20+,23-22+
InChIKeyHDFGJJKJXCKJKL-ZIFQKSGASA-N
XLogP13.76
TPSA128.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 513.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]-5-[(4-hydroxy-3-methylphenyl)diazenyl]benzenesulfonic acid
CID 137194197
(3-butyl-4-ethoxyphenyl)-phenyldiazene
CID 20571993
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
CID 163811607
2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
CID 159049808
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 2833137
N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884097
bis(2-ethyl-4-phenyldiazenylphenyl) carbonate
CID 87061199
2-fluoro-5-phenyldiazenylphenol
CID 175493253
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
5-[(3-ethoxy-4-hydroxyphenyl)diazenyl]-2-[4-[(3-ethoxy-4-hydroxyphenyl)diazenyl]-2-sulfophenyl]benzenesulfonic acid
CID 137244001
[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
CID 10736623

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The IUPAC name of (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol (CID 158444452) is (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol is CCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1C.Cc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The InChIKey is HDFGJJKJXCKJKL-ZIFQKSGASA-N. The full InChI is InChI=1S/C21H20N4O.C19H16N4O/c1-3-26-21-14-13-20(15-16(21)2)25-24-19-11-9-18(10-12-19)23-22-17-7-5-4-6-8-17;1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h4-15H,3H2,1-2H3;2-13,24H,1H3/b23-22+,25-24+;21-20+,23-22+.
What are the key properties of (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
(4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol has a molecular weight of 660.78 g/mol, XLogP of 13.76, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylphenyl)-(4-phenyldiazenylphenyl)diazene;2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol is sourced from PubChem (CID 158444452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).