1,3-diphenylprop-1-enylbenzene

C21H18 — CID 4072696

IUPAC1,3-diphenylprop-1-enylbenzene
SMILESC(Cc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyZFARYLBTOFBNFN-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.36
Rot. Bonds4

About 1,3-diphenylprop-1-enylbenzene

1,3-diphenylprop-1-enylbenzene (PubChem CID 4072696) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1,3-diphenylprop-1-enylbenzene.

Molecular Properties

Compound Name1,3-diphenylprop-1-enylbenzene
PubChem CID4072696
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name1,3-diphenylprop-1-enylbenzene
SMILESC(Cc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyZFARYLBTOFBNFN-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-1-enylbenzene?
The IUPAC name of 1,3-diphenylprop-1-enylbenzene (CID 4072696) is 1,3-diphenylprop-1-enylbenzene.
What is the SMILES notation for 1,3-diphenylprop-1-enylbenzene?
The canonical SMILES for 1,3-diphenylprop-1-enylbenzene is C(Cc1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylprop-1-enylbenzene?
The InChIKey is ZFARYLBTOFBNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2.
What are the key properties of 1,3-diphenylprop-1-enylbenzene?
1,3-diphenylprop-1-enylbenzene has a molecular weight of 270.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-1-enylbenzene is sourced from PubChem (CID 4072696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).