[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene

C28H22N8O — CID 12597169

IUPAC[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene
SMILESC(OC=C(/N=N/c1ccccc1)/N=N/c1ccccc1)=C(/N=N/c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C28H22N8O/c1-5-13-23(14-6-1)29-33-27(34-30-24-15-7-2-8-16-24)21-37-22-28(35-31-25-17-9-3-10-18-25)36-32-26-19-11-4-12-20-26/h1-22H/b33-29+,34-30+,35-31+,36-32+
InChIKeyFGECCKRPJMBDAQ-MCTOCYMBSA-N
MW486.54 g/mol
LogP9.74
Rot. Bonds10

About [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene

[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene (PubChem CID 12597169) has the molecular formula C28H22N8O and a molecular weight of 486.54 g/mol. Its IUPAC name is [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene.

Molecular Properties

Compound Name[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene
PubChem CID12597169
Molecular FormulaC28H22N8O
Molecular Weight486.54 g/mol
Exact Mass486.19
IUPAC Name[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene
SMILESC(OC=C(/N=N/c1ccccc1)/N=N/c1ccccc1)=C(/N=N/c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C28H22N8O/c1-5-13-23(14-6-1)29-33-27(34-30-24-15-7-2-8-16-24)21-37-22-28(35-31-25-17-9-3-10-18-25)36-32-26-19-11-4-12-20-26/h1-22H/b33-29+,34-30+,35-31+,36-32+
InChIKeyFGECCKRPJMBDAQ-MCTOCYMBSA-N
XLogP9.74
TPSA108.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene?
The IUPAC name of [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene (CID 12597169) is [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene.
What is the SMILES notation for [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene?
The canonical SMILES for [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene is C(OC=C(/N=N/c1ccccc1)/N=N/c1ccccc1)=C(/N=N/c1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene?
The InChIKey is FGECCKRPJMBDAQ-MCTOCYMBSA-N. The full InChI is InChI=1S/C28H22N8O/c1-5-13-23(14-6-1)29-33-27(34-30-24-15-7-2-8-16-24)21-37-22-28(35-31-25-17-9-3-10-18-25)36-32-26-19-11-4-12-20-26/h1-22H/b33-29+,34-30+,35-31+,36-32+.
What are the key properties of [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene?
[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene has a molecular weight of 486.54 g/mol, XLogP of 9.74, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene is sourced from PubChem (CID 12597169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).