[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene

C19H20N4 — CID 138655346

IUPAC[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene
SMILESC=C/C=C\C(=C)/N=N/c1ccc(/N=N/C(/C=C\C)=C/C=C)cc1
InChIInChI=1S/C19H20N4/c1-5-8-11-16(4)20-21-18-12-14-19(15-13-18)23-22-17(9-6-2)10-7-3/h5-15H,1-2,4H2,3H3/b10-7-,11-8-,17-9+,21-20+,23-22+
InChIKeyPNDNIFZQUDYRBA-LEPLTXIRSA-N
MW304.40 g/mol
LogP6.76
Rot. Bonds8

About [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene

[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene (PubChem CID 138655346) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene
PubChem CID138655346
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene
SMILESC=C/C=C\C(=C)/N=N/c1ccc(/N=N/C(/C=C\C)=C/C=C)cc1
InChIInChI=1S/C19H20N4/c1-5-8-11-16(4)20-21-18-12-14-19(15-13-18)23-22-17(9-6-2)10-7-3/h5-15H,1-2,4H2,3H3/b10-7-,11-8-,17-9+,21-20+,23-22+
InChIKeyPNDNIFZQUDYRBA-LEPLTXIRSA-N
XLogP6.76
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.40
LogP ≤ 56.76
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene
CID 126603537
(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
CID 91269235
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
5-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]diazenyl]benzene-1,3-dithiol
CID 142052277
N,N-dimethyl-4-[[(3E,5Z)-7-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]hepta-1,3,5-trien-4-yl]diazenyl]aniline
CID 166900263
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
CID 130280362
[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
CID 130280885
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
CID 143170529
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene (CID 138655346) is [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene is C=C/C=C\C(=C)/N=N/c1ccc(/N=N/C(/C=C\C)=C/C=C)cc1.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene?
The InChIKey is PNDNIFZQUDYRBA-LEPLTXIRSA-N. The full InChI is InChI=1S/C19H20N4/c1-5-8-11-16(4)20-21-18-12-14-19(15-13-18)23-22-17(9-6-2)10-7-3/h5-15H,1-2,4H2,3H3/b10-7-,11-8-,17-9+,21-20+,23-22+.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene?
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene has a molecular weight of 304.40 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-4-yl]-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]diazenyl]phenyl]diazene is sourced from PubChem (CID 138655346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).