[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide

C20H17N4- — CID 122233489

IUPAC[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide
SMILESCc1ccc(C(/N=N/c2ccccc2)=N\[N-]c2ccccc2)cc1
InChIInChI=1S/C20H17N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15H,1H3/q-1/b23-20+,24-22+
InChIKeyRUYNFPHGBCQDHF-FWOYJBNGSA-N
MW313.38 g/mol
LogP6.15
Rot. Bonds4

About [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide

[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide (PubChem CID 122233489) has the molecular formula C20H17N4- and a molecular weight of 313.38 g/mol. Its IUPAC name is [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide.

Molecular Properties

Compound Name[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide
PubChem CID122233489
Molecular FormulaC20H17N4-
Molecular Weight313.38 g/mol
Exact Mass313.15
IUPAC Name[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide
SMILESCc1ccc(C(/N=N/c2ccccc2)=N\[N-]c2ccccc2)cc1
InChIInChI=1S/C20H17N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15H,1H3/q-1/b23-20+,24-22+
InChIKeyRUYNFPHGBCQDHF-FWOYJBNGSA-N
XLogP6.15
TPSA51.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
CID 135429771
methyl 4-[[phenyl(phenyldiazenyl)methylidene]amino]benzoate
CID 20833878
N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
CID 135426618
N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
CID 6373583
copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
CID 59971375
[[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane
CID 169424989
phenyl(1-phenylprop-1-enyl)diazene
CID 175288109
copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
CID 161283848
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
bis(4-methylphenyl)diazene
CID 10389
(4-methylphenyl)methyl-phenyldiazene
CID 13049562

Frequently Asked Questions

What is the IUPAC name of [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide?
The IUPAC name of [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide (CID 122233489) is [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide.
What is the SMILES notation for [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide?
The canonical SMILES for [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide is Cc1ccc(C(/N=N/c2ccccc2)=N\[N-]c2ccccc2)cc1.
What is the InChIKey of [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide?
The InChIKey is RUYNFPHGBCQDHF-FWOYJBNGSA-N. The full InChI is InChI=1S/C20H17N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15H,1H3/q-1/b23-20+,24-22+.
What are the key properties of [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide?
[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide has a molecular weight of 313.38 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide is sourced from PubChem (CID 122233489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).