1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene

C15H12N6 — CID 153309970

IUPAC1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene
SMILESCC(=Cc1ccc(N=[N+]=[N-])cc1)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C15H12N6/c1-11(13-4-8-15(9-5-13)19-21-17)10-12-2-6-14(7-3-12)18-20-16/h2-10H,1H3
InChIKeyPGYSHRWUMNHZRJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP6.13
Rot. Bonds4

About 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene

1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene (PubChem CID 153309970) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene
PubChem CID153309970
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene
SMILESCC(=Cc1ccc(N=[N+]=[N-])cc1)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C15H12N6/c1-11(13-4-8-15(9-5-13)19-21-17)10-12-2-6-14(7-3-12)18-20-16/h2-10H,1H3
InChIKeyPGYSHRWUMNHZRJ-UHFFFAOYSA-N
XLogP6.13
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.30
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
CID 91521628
1-azido-4-[(E)-2-(methoxymethyl)but-1-enyl]benzene
CID 59310607
CID 158206097
CID 158206097
3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
CID 175806495
CID 175806495
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
1-(4-azidophenyl)-2-phenylethane-1,2-dione;1-phenylethanone
CID 89499579
1-azido-4-(3-methylbut-1-en-2-yl)benzene
CID 118074417
1-azido-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 100945639
1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
CID 100945637
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
1-azido-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 11644565

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene?
The IUPAC name of 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene (CID 153309970) is 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene is CC(=Cc1ccc(N=[N+]=[N-])cc1)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene?
The InChIKey is PGYSHRWUMNHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-11(13-4-8-15(9-5-13)19-21-17)10-12-2-6-14(7-3-12)18-20-16/h2-10H,1H3.
What are the key properties of 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene?
1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene has a molecular weight of 276.30 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene is sourced from PubChem (CID 153309970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).