cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene

C24H20N4 — CID 170130172

IUPACcyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene
SMILESC1=CCCC(/N=N/c2ccc(-c3ccc(/N=N/c4ccccc4)cc3)cc2)=C1
InChIInChI=1S/C24H20N4/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-5,7-9,11-18H,6,10H2/b27-25+,28-26+
InChIKeyXXKNBMYTUGUISY-NBHCHVEOSA-N
MW364.45 g/mol
LogP8.09
Rot. Bonds5

About cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene

cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene (PubChem CID 170130172) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene
PubChem CID170130172
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Namecyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene
SMILESC1=CCCC(/N=N/c2ccc(-c3ccc(/N=N/c4ccccc4)cc3)cc2)=C1
InChIInChI=1S/C24H20N4/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-5,7-9,11-18H,6,10H2/b27-25+,28-26+
InChIKeyXXKNBMYTUGUISY-NBHCHVEOSA-N
XLogP8.09
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 58.09
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene?
The IUPAC name of cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene (CID 170130172) is cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene?
The canonical SMILES for cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene is C1=CCCC(/N=N/c2ccc(-c3ccc(/N=N/c4ccccc4)cc3)cc2)=C1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene?
The InChIKey is XXKNBMYTUGUISY-NBHCHVEOSA-N. The full InChI is InChI=1S/C24H20N4/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-5,7-9,11-18H,6,10H2/b27-25+,28-26+.
What are the key properties of cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene?
cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene has a molecular weight of 364.45 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene is sourced from PubChem (CID 170130172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).