1-hexa-2,5-dien-3-yl-4-phenylbenzene

C18H18 — CID 173362855

IUPAC1-hexa-2,5-dien-3-yl-4-phenylbenzene
SMILESC=CCC(=CC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18/c1-3-8-15(4-2)17-11-13-18(14-12-17)16-9-6-5-7-10-16/h3-7,9-14H,1,8H2,2H3
InChIKeyCCILUBIPFKDSKG-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.33
Rot. Bonds4

About 1-hexa-2,5-dien-3-yl-4-phenylbenzene

1-hexa-2,5-dien-3-yl-4-phenylbenzene (PubChem CID 173362855) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-hexa-2,5-dien-3-yl-4-phenylbenzene.

Molecular Properties

Compound Name1-hexa-2,5-dien-3-yl-4-phenylbenzene
PubChem CID173362855
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-hexa-2,5-dien-3-yl-4-phenylbenzene
SMILESC=CCC(=CC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18/c1-3-8-15(4-2)17-11-13-18(14-12-17)16-9-6-5-7-10-16/h3-7,9-14H,1,8H2,2H3
InChIKeyCCILUBIPFKDSKG-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
1-(4-phenylphenyl)ethenol
CID 89336300
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate
CID 173404912
1-phenylbut-3-ene-1-thione
CID 23072627
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604

Frequently Asked Questions

What is the IUPAC name of 1-hexa-2,5-dien-3-yl-4-phenylbenzene?
The IUPAC name of 1-hexa-2,5-dien-3-yl-4-phenylbenzene (CID 173362855) is 1-hexa-2,5-dien-3-yl-4-phenylbenzene.
What is the SMILES notation for 1-hexa-2,5-dien-3-yl-4-phenylbenzene?
The canonical SMILES for 1-hexa-2,5-dien-3-yl-4-phenylbenzene is C=CCC(=CC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-hexa-2,5-dien-3-yl-4-phenylbenzene?
The InChIKey is CCILUBIPFKDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-3-8-15(4-2)17-11-13-18(14-12-17)16-9-6-5-7-10-16/h3-7,9-14H,1,8H2,2H3.
What are the key properties of 1-hexa-2,5-dien-3-yl-4-phenylbenzene?
1-hexa-2,5-dien-3-yl-4-phenylbenzene has a molecular weight of 234.34 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-2,5-dien-3-yl-4-phenylbenzene is sourced from PubChem (CID 173362855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).