4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline

C22H19N6+ — CID 131885167

IUPAC4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline
SMILESC[n+]1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N6/c1-28-14-12-18(13-15-28)25-27-22-11-10-21(19-4-2-3-5-20(19)22)26-24-17-8-6-16(23)7-9-17/h2-15,23H,1H3/p+1
InChIKeyRBSQJGBSNDAADQ-UHFFFAOYSA-O
MW367.44 g/mol
LogP6.08
Rot. Bonds4

About 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline

4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline (PubChem CID 131885167) has the molecular formula C22H19N6+ and a molecular weight of 367.44 g/mol. Its IUPAC name is 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline.

Molecular Properties

Compound Name4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline
PubChem CID131885167
Molecular FormulaC22H19N6+
Molecular Weight367.44 g/mol
Exact Mass367.17
IUPAC Name4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline
SMILESC[n+]1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N6/c1-28-14-12-18(13-15-28)25-27-22-11-10-21(19-4-2-3-5-20(19)22)26-24-17-8-6-16(23)7-9-17/h2-15,23H,1H3/p+1
InChIKeyRBSQJGBSNDAADQ-UHFFFAOYSA-O
XLogP6.08
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4-[[4-[(4-phenylphenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-amine
CID 88875063
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
CID 136752195
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
CID 71361497
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202
4-[(2,4-dichlorophenyl)diazenyl]aniline
CID 23338727
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
CID 117067404
4-[[1-[6-[4-[(4-aminophenyl)diazenyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline
CID 58687256

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
The IUPAC name of 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline (CID 131885167) is 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline.
What is the SMILES notation for 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
The canonical SMILES for 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline is C[n+]1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
The InChIKey is RBSQJGBSNDAADQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H18N6/c1-28-14-12-18(13-15-28)25-27-22-11-10-21(19-4-2-3-5-20(19)22)26-24-17-8-6-16(23)7-9-17/h2-15,23H,1H3/p+1.
What are the key properties of 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline has a molecular weight of 367.44 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline is sourced from PubChem (CID 131885167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).