(6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine

C22H21N — CID 170101115

IUPAC(6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(C=C)=C\C1=C(\C)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C22H21N/c1-3-17-9-14-22(23)21(15-17)16(2)18-10-12-20(13-11-18)19-7-5-4-6-8-19/h3,5,7-15,23H,1,4,6H2,2H3/b21-16+,23-22+
InChIKeyCTQHYUJPRBIFGJ-NDKFDOQPSA-N
MW299.42 g/mol
LogP5.90
Rot. Bonds3

About (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine

(6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine (PubChem CID 170101115) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine
PubChem CID170101115
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name(6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(C=C)=C\C1=C(\C)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C22H21N/c1-3-17-9-14-22(23)21(15-17)16(2)18-10-12-20(13-11-18)19-7-5-4-6-8-19/h3,5,7-15,23H,1,4,6H2,2H3/b21-16+,23-22+
InChIKeyCTQHYUJPRBIFGJ-NDKFDOQPSA-N
XLogP5.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 145264939
1-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-sulfanylethanone
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1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 155471707
(4-cyclohexa-1,5-dien-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143702960
acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
CID 168915570
4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline
CID 142340608
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide
CID 166096417
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
1-cyclohexa-1,5-dien-1-yl-4-(iodomethyl)benzene
CID 70308724
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine (CID 170101115) is (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(C=C)=C\C1=C(\C)c1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine?
The InChIKey is CTQHYUJPRBIFGJ-NDKFDOQPSA-N. The full InChI is InChI=1S/C22H21N/c1-3-17-9-14-22(23)21(15-17)16(2)18-10-12-20(13-11-18)19-7-5-4-6-8-19/h3,5,7-15,23H,1,4,6H2,2H3/b21-16+,23-22+.
What are the key properties of (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine?
(6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine has a molecular weight of 299.42 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethylidene]-4-ethenylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 170101115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).