1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene

C18H15BrN4 — CID 150012529

IUPAC1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene
SMILESBrN(N/N=N/c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15BrN4/c19-23(16-11-5-2-6-12-16)22-21-20-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,20,22)
InChIKeyDDOTUDXTOXMTSP-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.67
Rot. Bonds5

About 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene

1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene (PubChem CID 150012529) has the molecular formula C18H15BrN4 and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene
PubChem CID150012529
Molecular FormulaC18H15BrN4
Molecular Weight367.25 g/mol
Exact Mass366.05
IUPAC Name1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene
SMILESBrN(N/N=N/c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15BrN4/c19-23(16-11-5-2-6-12-16)22-21-20-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,20,22)
InChIKeyDDOTUDXTOXMTSP-UHFFFAOYSA-N
XLogP5.67
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.67
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene?
The IUPAC name of 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene (CID 150012529) is 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene.
What is the SMILES notation for 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene?
The canonical SMILES for 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene is BrN(N/N=N/c1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene?
The InChIKey is DDOTUDXTOXMTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4/c19-23(16-11-5-2-6-12-16)22-21-20-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,20,22).
What are the key properties of 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene?
1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene has a molecular weight of 367.25 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-2-phenylhydrazinyl)diazenyl]-2-phenylbenzene is sourced from PubChem (CID 150012529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).