methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate

C24H25N5O2 — CID 134310378

IUPACmethyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
SMILESCCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H25N5O2/c1-4-29(5-2)23-16-14-22(15-17-23)28-27-21-12-10-20(11-13-21)26-25-19-8-6-18(7-9-19)24(30)31-3/h6-17H,4-5H2,1-3H3/b26-25+,28-27+
InChIKeyAKVKTKKCBCAFGC-PAMTUDGESA-N
MW415.50 g/mol
LogP7.15
Rot. Bonds8

About methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate

methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate (PubChem CID 134310378) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
PubChem CID134310378
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Namemethyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
SMILESCCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H25N5O2/c1-4-29(5-2)23-16-14-22(15-17-23)28-27-21-12-10-20(11-13-21)26-25-19-8-6-18(7-9-19)24(30)31-3/h6-17H,4-5H2,1-3H3/b26-25+,28-27+
InChIKeyAKVKTKKCBCAFGC-PAMTUDGESA-N
XLogP7.15
TPSA78.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate with MolForge

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Related Compounds

methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
[4-[(4-methoxycarbonylphenyl)diazenyl]phenyl]methylazanium chloride
CID 86695989
methyl 4-[[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166137
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
methyl 4-[[hydroxymethyl(propyl)amino]diazenyl]benzoate
CID 13307865
methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate
CID 19661893
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate?
The IUPAC name of methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate (CID 134310378) is methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate?
The canonical SMILES for methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate is CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)OC)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate?
The InChIKey is AKVKTKKCBCAFGC-PAMTUDGESA-N. The full InChI is InChI=1S/C24H25N5O2/c1-4-29(5-2)23-16-14-22(15-17-23)28-27-21-12-10-20(11-13-21)26-25-19-8-6-18(7-9-19)24(30)31-3/h6-17H,4-5H2,1-3H3/b26-25+,28-27+.
What are the key properties of methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate?
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate has a molecular weight of 415.50 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate is sourced from PubChem (CID 134310378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).