[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene

C14H14N2 — CID 59865693

IUPAC[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene
SMILES[H]/N=N/C1C=CC=CC1/C=C/c1ccccc1
InChIInChI=1S/C14H14N2/c15-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,13-15H/b11-10+,16-15+
InChIKeyNJEJDKYOTDLLLN-QLJIQFCGSA-N
MW210.28 g/mol
LogP3.84
Rot. Bonds3

About [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene

[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene (PubChem CID 59865693) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene.

Molecular Properties

Compound Name[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene
PubChem CID59865693
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene
SMILES[H]/N=N/C1C=CC=CC1/C=C/c1ccccc1
InChIInChI=1S/C14H14N2/c15-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,13-15H/b11-10+,16-15+
InChIKeyNJEJDKYOTDLLLN-QLJIQFCGSA-N
XLogP3.84
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 70567885
CID 70567885
[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea
CID 69170417
5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
CID 87781266
CID 70569152
CID 70569152
[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene
CID 123362882
N-benzylidenemethanimidamide
CID 142931024
(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
CID 85470685
[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
CID 14358727
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene?
The IUPAC name of [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene (CID 59865693) is [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene.
What is the SMILES notation for [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene?
The canonical SMILES for [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene is [H]/N=N/C1C=CC=CC1/C=C/c1ccccc1.
What is the InChIKey of [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene?
The InChIKey is NJEJDKYOTDLLLN-QLJIQFCGSA-N. The full InChI is InChI=1S/C14H14N2/c15-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,13-15H/b11-10+,16-15+.
What are the key properties of [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene?
[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene has a molecular weight of 210.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene is sourced from PubChem (CID 59865693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).