[4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene

C18H20N2 — CID 166792193

IUPAC[4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene
SMILESC=CCC1(CC=C)C=CC(/N=N/c2ccccc2)=CC1
InChIInChI=1S/C18H20N2/c1-3-12-18(13-4-2)14-10-17(11-15-18)20-19-16-8-6-5-7-9-16/h3-11,14H,1-2,12-13,15H2/b20-19+
InChIKeyKWUAIWOWQUNVKY-FMQUCBEESA-N
MW264.37 g/mol
LogP5.75
Rot. Bonds6

About [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene

[4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene (PubChem CID 166792193) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene.

Molecular Properties

Compound Name[4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene
PubChem CID166792193
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name[4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene
SMILESC=CCC1(CC=C)C=CC(/N=N/c2ccccc2)=CC1
InChIInChI=1S/C18H20N2/c1-3-12-18(13-4-2)14-10-17(11-15-18)20-19-16-8-6-5-7-9-16/h3-11,14H,1-2,12-13,15H2/b20-19+
InChIKeyKWUAIWOWQUNVKY-FMQUCBEESA-N
XLogP5.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyldiazenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 154209959
1-nitro-4-phenyldiazenylcyclohexa-2,4-dien-1-ol
CID 141317059
(4-butyl-4-nitrocyclohexa-1,5-dien-1-yl)-phenyldiazene
CID 175213041
1-octoxy-4-phenyldiazenylcyclohexa-2,4-dien-1-ol
CID 70173104
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
1-butyl-N-methyl-N-(2-methylheptan-2-yloxy)-4-phenyldiazenylcyclohexa-2,4-dien-1-amine
CID 174814941
diphenyldiazene;hydrofluoride
CID 174857584
N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenylmethanimine
CID 70575378
6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine
CID 54163261
phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide
CID 175082656
bis(diphenyldiazene);uranium;vanadium
CID 158886927
5,5-bis(prop-2-enyl)cyclohexa-1,3-diene
CID 174405622

Frequently Asked Questions

What is the IUPAC name of [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene?
The IUPAC name of [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene (CID 166792193) is [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene.
What is the SMILES notation for [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene?
The canonical SMILES for [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene is C=CCC1(CC=C)C=CC(/N=N/c2ccccc2)=CC1.
What is the InChIKey of [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene?
The InChIKey is KWUAIWOWQUNVKY-FMQUCBEESA-N. The full InChI is InChI=1S/C18H20N2/c1-3-12-18(13-4-2)14-10-17(11-15-18)20-19-16-8-6-5-7-9-16/h3-11,14H,1-2,12-13,15H2/b20-19+.
What are the key properties of [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene?
[4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene has a molecular weight of 264.37 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]-phenyldiazene is sourced from PubChem (CID 166792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).