1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene

C18H18 — CID 143808839

IUPAC1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
SMILESC=C/C=C\C(=C)c1cccc(C2=CCCC=C2)c1
InChIInChI=1S/C18H18/c1-3-4-9-15(2)17-12-8-13-18(14-17)16-10-6-5-7-11-16/h3-4,6,8-14H,1-2,5,7H2/b9-4-
InChIKeyQYYRKRCWXVBRHG-WTKPLQERSA-N
MW234.34 g/mol
LogP5.18
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene

1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene (PubChem CID 143808839) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
PubChem CID143808839
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
SMILESC=C/C=C\C(=C)c1cccc(C2=CCCC=C2)c1
InChIInChI=1S/C18H18/c1-3-4-9-15(2)17-12-8-13-18(14-17)16-10-6-5-7-11-16/h3-4,6,8-14H,1-2,5,7H2/b9-4-
InChIKeyQYYRKRCWXVBRHG-WTKPLQERSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
2-[1-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)-5-(3-phenylphenyl)phenyl]ethenyl]-4,6-diphenyl-1,3,5-triazine
CID 89110285
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
CID 144573791
fluoromethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]aniline
CID 144557554
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]-4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazine
CID 163977720
N-[(2Z,4Z)-3-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-2-ethenylhexa-2,4-dienyl]-1-[2-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]phenyl]ethanimine;prop-1-en-2-ylbenzene
CID 145218159
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-[4-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)propan-2-yl]phenyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylpyrimidine
CID 146384879
3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline
CID 138518273

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene (CID 143808839) is 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene is C=C/C=C\C(=C)c1cccc(C2=CCCC=C2)c1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene?
The InChIKey is QYYRKRCWXVBRHG-WTKPLQERSA-N. The full InChI is InChI=1S/C18H18/c1-3-4-9-15(2)17-12-8-13-18(14-17)16-10-6-5-7-11-16/h3-4,6,8-14H,1-2,5,7H2/b9-4-.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene?
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene has a molecular weight of 234.34 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene is sourced from PubChem (CID 143808839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).