2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile

C19H11Cl2N — CID 4600650

IUPAC2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
SMILESN#CC(=Cc1cccc2ccccc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11Cl2N/c20-17-9-4-10-18(21)19(17)15(12-22)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H
InChIKeyFVICRCFITKRCPL-UHFFFAOYSA-N
MW324.21 g/mol
LogP6.21
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile

2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile (PubChem CID 4600650) has the molecular formula C19H11Cl2N and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
PubChem CID4600650
Molecular FormulaC19H11Cl2N
Molecular Weight324.21 g/mol
Exact Mass323.03
IUPAC Name2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
SMILESN#CC(=Cc1cccc2ccccc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11Cl2N/c20-17-9-4-10-18(21)19(17)15(12-22)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H
InChIKeyFVICRCFITKRCPL-UHFFFAOYSA-N
XLogP6.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.21
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile (CID 4600650) is 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile is N#CC(=Cc1cccc2ccccc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
The InChIKey is FVICRCFITKRCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N/c20-17-9-4-10-18(21)19(17)15(12-22)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H.
What are the key properties of 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile has a molecular weight of 324.21 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile is sourced from PubChem (CID 4600650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).