[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate

C25H20O2 — CID 101487318

IUPAC[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
SMILESCC(=O)OC(/C=C(\C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20O2/c1-20(26)27-25(23-15-9-4-10-16-23)19-24(22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h2-16,19,25H,1H3/b24-19+
InChIKeyCIRPTRFMTGHYPR-LYBHJNIJSA-N
MW352.43 g/mol
LogP5.43
Rot. Bonds4

About [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate

[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate (PubChem CID 101487318) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate.

Molecular Properties

Compound Name[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
PubChem CID101487318
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
SMILESCC(=O)OC(/C=C(\C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20O2/c1-20(26)27-25(23-15-9-4-10-16-23)19-24(22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h2-16,19,25H,1H3/b24-19+
InChIKeyCIRPTRFMTGHYPR-LYBHJNIJSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
CID 134859358
[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate
CID 11760893
(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
CID 101458062
[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
CID 5378828
[(1S)-1-phenylethyl] 3-phenylprop-2-ynoate
CID 102572800
[(Z)-2,4-diphenylbut-1-en-3-ynyl]-triphenylphosphanium tetrafluoroborate
CID 139185319
1-[3-(1-hydroxy-3-phenylprop-2-ynyl)phenyl]ethanone
CID 57326352
(4,4-dimethyl-1-phenylpent-1-yn-3-yl) acetate
CID 11345245
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-phenylhex-5-en-1-yn-3-yl acetate
CID 102073448
[1-(4-bromophenyl)-3-phenylprop-2-ynyl] acetate
CID 16752336

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate?
The IUPAC name of [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate (CID 101487318) is [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate.
What is the SMILES notation for [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate?
The canonical SMILES for [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate is CC(=O)OC(/C=C(\C#Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate?
The InChIKey is CIRPTRFMTGHYPR-LYBHJNIJSA-N. The full InChI is InChI=1S/C25H20O2/c1-20(26)27-25(23-15-9-4-10-16-23)19-24(22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h2-16,19,25H,1H3/b24-19+.
What are the key properties of [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate?
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate has a molecular weight of 352.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate is sourced from PubChem (CID 101487318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).