[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene

C14H14N2 — CID 126603537

IUPAC[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene
SMILESC=C/C=C\C(=C/C=C)\N=N\c1ccccc1
InChIInChI=1S/C14H14N2/c1-3-5-10-13(9-4-2)15-16-14-11-7-6-8-12-14/h3-12H,1-2H2/b10-5-,13-9+,16-15+
InChIKeyBIGCVHVZUQOLSJ-YVOLVREMSA-N
MW210.28 g/mol
LogP4.58
Rot. Bonds5

About [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene

[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene (PubChem CID 126603537) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene
PubChem CID126603537
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene
SMILESC=C/C=C\C(=C/C=C)\N=N\c1ccccc1
InChIInChI=1S/C14H14N2/c1-3-5-10-13(9-4-2)15-16-14-11-7-6-8-12-14/h3-12H,1-2H2/b10-5-,13-9+,16-15+
InChIKeyBIGCVHVZUQOLSJ-YVOLVREMSA-N
XLogP4.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.58
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': 'polyene', 'substructure': 'N/A'}

Analyze [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene
CID 138655346
(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
CID 91269235
(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
CID 178060886
N-phenylpenta-2,4-dien-1-imine
CID 123454989
CID 174034385
CID 174034385
[2-[2,2-bis(phenyldiazenyl)ethenoxy]-1-phenyldiazenylethenyl]-phenyldiazene
CID 12597169
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid
CID 87701741
phenyl(1-phenylprop-1-enyl)diazene
CID 175288109
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
diphenyldiazene;hydrofluoride
CID 174857584

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene?
The IUPAC name of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene (CID 126603537) is [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene.
What is the SMILES notation for [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene?
The canonical SMILES for [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene is C=C/C=C\C(=C/C=C)\N=N\c1ccccc1.
What is the InChIKey of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene?
The InChIKey is BIGCVHVZUQOLSJ-YVOLVREMSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-5-10-13(9-4-2)15-16-14-11-7-6-8-12-14/h3-12H,1-2H2/b10-5-,13-9+,16-15+.
What are the key properties of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene?
[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene has a molecular weight of 210.28 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene is sourced from PubChem (CID 126603537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).