4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile

C22H15NO — CID 54352112

IUPAC4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1C=Cc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C22H15NO/c1-15-12-17(14-23)7-10-18(15)9-6-16-8-11-20-19-4-2-3-5-21(19)24-22(20)13-16/h2-13H,1H3
InChIKeyUGMQZWRMGSFSFP-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.94
Rot. Bonds2

About 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile

4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile (PubChem CID 54352112) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile
PubChem CID54352112
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1C=Cc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C22H15NO/c1-15-12-17(14-23)7-10-18(15)9-6-16-8-11-20-19-4-2-3-5-21(19)24-22(20)13-16/h2-13H,1H3
InChIKeyUGMQZWRMGSFSFP-UHFFFAOYSA-N
XLogP5.94
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile?
The IUPAC name of 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile (CID 54352112) is 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile?
The canonical SMILES for 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile is Cc1cc(C#N)ccc1C=Cc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile?
The InChIKey is UGMQZWRMGSFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c1-15-12-17(14-23)7-10-18(15)9-6-16-8-11-20-19-4-2-3-5-21(19)24-22(20)13-16/h2-13H,1H3.
What are the key properties of 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile?
4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile has a molecular weight of 309.37 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile is sourced from PubChem (CID 54352112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).