1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone

C20H15N5O — CID 141272369

IUPAC1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2cccc(-c3ccccc3)c2N=[N+]=[N-])cc1
InChIInChI=1S/C20H15N5O/c1-14(26)15-10-12-17(13-11-15)22-23-19-9-5-8-18(20(19)24-25-21)16-6-3-2-4-7-16/h2-13H,1H3/b23-22+
InChIKeyYPBZNQKIIMXQPO-GHVJWSGMSA-N
MW341.37 g/mol
LogP6.91
Rot. Bonds5

About 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone

1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone (PubChem CID 141272369) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone
PubChem CID141272369
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2cccc(-c3ccccc3)c2N=[N+]=[N-])cc1
InChIInChI=1S/C20H15N5O/c1-14(26)15-10-12-17(13-11-15)22-23-19-9-5-8-18(20(19)24-25-21)16-6-3-2-4-7-16/h2-13H,1H3/b23-22+
InChIKeyYPBZNQKIIMXQPO-GHVJWSGMSA-N
XLogP6.91
TPSA90.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide
CID 174886147
2-(2-azido-3-phenyldiazenylphenyl)phenol
CID 174563516
1-(4-azidophenyl)-2-phenylethane-1,2-dione;1-phenylethanone
CID 89499579
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
[2-[(4-acetylphenyl)diazenyl]phenyl]boronic acid
CID 158699237
(2,3-diazido-4,5,6-trihydroxyphenyl)-phenylmethanone
CID 150802254
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
3-azido-2-phenyl-4-phenyldiazenylbenzenesulfonic acid
CID 141358216
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-azido-2-phenylbenzene;formamide
CID 175577237
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone (CID 141272369) is 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone is CC(=O)c1ccc(/N=N/c2cccc(-c3ccccc3)c2N=[N+]=[N-])cc1.
What is the InChIKey of 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone?
The InChIKey is YPBZNQKIIMXQPO-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H15N5O/c1-14(26)15-10-12-17(13-11-15)22-23-19-9-5-8-18(20(19)24-25-21)16-6-3-2-4-7-16/h2-13H,1H3/b23-22+.
What are the key properties of 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone?
1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone has a molecular weight of 341.37 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-azido-3-phenylphenyl)diazenyl]phenyl]ethanone is sourced from PubChem (CID 141272369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).