1,3,3-triphenylprop-1-enylbenzene

C27H22 — CID 4682176

IUPAC1,3,3-triphenylprop-1-enylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,26H
InChIKeyPSLHAJSIVBEUGX-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.95
Rot. Bonds5

About 1,3,3-triphenylprop-1-enylbenzene

1,3,3-triphenylprop-1-enylbenzene (PubChem CID 4682176) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1,3,3-triphenylprop-1-enylbenzene.

Molecular Properties

Compound Name1,3,3-triphenylprop-1-enylbenzene
PubChem CID4682176
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name1,3,3-triphenylprop-1-enylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,26H
InChIKeyPSLHAJSIVBEUGX-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-triphenylprop-1-enylbenzene?
The IUPAC name of 1,3,3-triphenylprop-1-enylbenzene (CID 4682176) is 1,3,3-triphenylprop-1-enylbenzene.
What is the SMILES notation for 1,3,3-triphenylprop-1-enylbenzene?
The canonical SMILES for 1,3,3-triphenylprop-1-enylbenzene is C(=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3,3-triphenylprop-1-enylbenzene?
The InChIKey is PSLHAJSIVBEUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,26H.
What are the key properties of 1,3,3-triphenylprop-1-enylbenzene?
1,3,3-triphenylprop-1-enylbenzene has a molecular weight of 346.47 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-triphenylprop-1-enylbenzene is sourced from PubChem (CID 4682176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).