[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide

C13H12N6O — CID 142763484

IUPAC[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide
SMILESCOc1ccc(/N=N/[N+](=[N-])/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N6O/c1-20-13-9-7-12(8-10-13)16-18-19(14)17-15-11-5-3-2-4-6-11/h2-10H,1H3/b17-15+,18-16+
InChIKeyQNNAPSMQTWKMHA-YTEMWHBBSA-N
MW268.28 g/mol
LogP4.43
Rot. Bonds5

About [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide

[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide (PubChem CID 142763484) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide.

Molecular Properties

Compound Name[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide
PubChem CID142763484
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide
SMILESCOc1ccc(/N=N/[N+](=[N-])/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N6O/c1-20-13-9-7-12(8-10-13)16-18-19(14)17-15-11-5-3-2-4-6-11/h2-10H,1H3/b17-15+,18-16+
InChIKeyQNNAPSMQTWKMHA-YTEMWHBBSA-N
XLogP4.43
TPSA83.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
(4-methoxyphenyl)-methyldiazene
CID 20589170
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
[(4-methoxyphenyl)-phenyldiazenylmethyl]-phenyldiazene
CID 54206769
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
anisole;N,N'-diphenylmethanediimine
CID 157139667
3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene
CID 134857229
(4-methoxyphenyl)iminocyanamide
CID 12569088

Frequently Asked Questions

What is the IUPAC name of [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide?
The IUPAC name of [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide (CID 142763484) is [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide.
What is the SMILES notation for [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide?
The canonical SMILES for [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide is COc1ccc(/N=N/[N+](=[N-])/N=N/c2ccccc2)cc1.
What is the InChIKey of [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide?
The InChIKey is QNNAPSMQTWKMHA-YTEMWHBBSA-N. The full InChI is InChI=1S/C13H12N6O/c1-20-13-9-7-12(8-10-13)16-18-19(14)17-15-11-5-3-2-4-6-11/h2-10H,1H3/b17-15+,18-16+.
What are the key properties of [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide?
[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide has a molecular weight of 268.28 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide is sourced from PubChem (CID 142763484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).