azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene

C18H15Br2N3 — CID 87095456

IUPACazane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene
SMILESBrc1cc(Br)c(/N=N/c2ccccc2)c(-c2ccccc2)c1.N
InChIInChI=1S/C18H12Br2N2.H3N/c19-14-11-16(13-7-3-1-4-8-13)18(17(20)12-14)22-21-15-9-5-2-6-10-15;/h1-12H;1H3/b22-21+;
InChIKeyRAQAVYOCZIXJKO-QUABFQRHSA-N
MW433.15 g/mol
LogP7.46
Rot. Bonds3

About azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene

azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene (PubChem CID 87095456) has the molecular formula C18H15Br2N3 and a molecular weight of 433.15 g/mol. Its IUPAC name is azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene.

Molecular Properties

Compound Nameazane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene
PubChem CID87095456
Molecular FormulaC18H15Br2N3
Molecular Weight433.15 g/mol
Exact Mass430.96
IUPAC Nameazane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene
SMILESBrc1cc(Br)c(/N=N/c2ccccc2)c(-c2ccccc2)c1.N
InChIInChI=1S/C18H12Br2N2.H3N/c19-14-11-16(13-7-3-1-4-8-13)18(17(20)12-14)22-21-15-9-5-2-6-10-15;/h1-12H;1H3/b22-21+;
InChIKeyRAQAVYOCZIXJKO-QUABFQRHSA-N
XLogP7.46
TPSA59.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.15
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene?
The IUPAC name of azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene (CID 87095456) is azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene.
What is the SMILES notation for azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene?
The canonical SMILES for azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene is Brc1cc(Br)c(/N=N/c2ccccc2)c(-c2ccccc2)c1.N.
What is the InChIKey of azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene?
The InChIKey is RAQAVYOCZIXJKO-QUABFQRHSA-N. The full InChI is InChI=1S/C18H12Br2N2.H3N/c19-14-11-16(13-7-3-1-4-8-13)18(17(20)12-14)22-21-15-9-5-2-6-10-15;/h1-12H;1H3/b22-21+;.
What are the key properties of azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene?
azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene has a molecular weight of 433.15 g/mol, XLogP of 7.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene is sourced from PubChem (CID 87095456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).