phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene

C25H24N6+2 — CID 58982593

IUPACphenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene
SMILESc1ccc(/N=N/c2cc[n+](CCC[n+]3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H24N6/c1-3-8-22(9-4-1)26-28-24-12-18-30(19-13-24)16-7-17-31-20-14-25(15-21-31)29-27-23-10-5-2-6-11-23/h1-6,8-15,18-21H,7,16-17H2/q+2
InChIKeyHWIHOOSWNJQDPY-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.18
Rot. Bonds8

About phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene

phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene (PubChem CID 58982593) has the molecular formula C25H24N6+2 and a molecular weight of 408.51 g/mol. Its IUPAC name is phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene.

Molecular Properties

Compound Namephenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene
PubChem CID58982593
Molecular FormulaC25H24N6+2
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Namephenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene
SMILESc1ccc(/N=N/c2cc[n+](CCC[n+]3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H24N6/c1-3-8-22(9-4-1)26-28-24-12-18-30(19-13-24)16-7-17-31-20-14-25(15-21-31)29-27-23-10-5-2-6-11-23/h1-6,8-15,18-21H,7,16-17H2/q+2
InChIKeyHWIHOOSWNJQDPY-UHFFFAOYSA-N
XLogP6.18
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene?
The IUPAC name of phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene (CID 58982593) is phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene.
What is the SMILES notation for phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene?
The canonical SMILES for phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene is c1ccc(/N=N/c2cc[n+](CCC[n+]3ccc(/N=N/c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene?
The InChIKey is HWIHOOSWNJQDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-3-8-22(9-4-1)26-28-24-12-18-30(19-13-24)16-7-17-31-20-14-25(15-21-31)29-27-23-10-5-2-6-11-23/h1-6,8-15,18-21H,7,16-17H2/q+2.
What are the key properties of phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene?
phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene has a molecular weight of 408.51 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene is sourced from PubChem (CID 58982593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).