ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene

C21H24 — CID 145063911

IUPACethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
SMILESC=C(/C=C(\C=C/C)c1ccccc1)c1ccccc1.CC
InChIInChI=1S/C19H18.C2H6/c1-3-10-19(18-13-8-5-9-14-18)15-16(2)17-11-6-4-7-12-17;1-2/h3-15H,2H2,1H3;1-2H3/b10-3-,19-15+;
InChIKeyKGTFXUFFHLKWCY-RYZXAZSQSA-N
MW276.42 g/mol
LogP6.39
Rot. Bonds4

About ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene

ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene (PubChem CID 145063911) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
PubChem CID145063911
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Nameethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
SMILESC=C(/C=C(\C=C/C)c1ccccc1)c1ccccc1.CC
InChIInChI=1S/C19H18.C2H6/c1-3-10-19(18-13-8-5-9-14-18)15-16(2)17-11-6-4-7-12-17;1-2/h3-15H,2H2,1H3;1-2H3/b10-3-,19-15+;
InChIKeyKGTFXUFFHLKWCY-RYZXAZSQSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.39
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

ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
ethane;4,4,5,5-tetramethyl-2-[3-[3-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 142425283
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
(2E,4E,7E,9Z)-5-ethenyl-6-methylidene-8-phenylundeca-2,4,7,9-tetraene-3-thiol
CID 170266079
ethane;(3Z,5E)-5-phenylhepta-1,3,5-triene-2-thiol
CID 143899348
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
CID 145073064
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207

Frequently Asked Questions

What is the IUPAC name of ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene?
The IUPAC name of ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene (CID 145063911) is ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene.
What is the SMILES notation for ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene?
The canonical SMILES for ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene is C=C(/C=C(\C=C/C)c1ccccc1)c1ccccc1.CC.
What is the InChIKey of ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene?
The InChIKey is KGTFXUFFHLKWCY-RYZXAZSQSA-N. The full InChI is InChI=1S/C19H18.C2H6/c1-3-10-19(18-13-8-5-9-14-18)15-16(2)17-11-6-4-7-12-17;1-2/h3-15H,2H2,1H3;1-2H3/b10-3-,19-15+;.
What are the key properties of ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene?
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene has a molecular weight of 276.42 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene is sourced from PubChem (CID 145063911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).