2-(2,7-diethylfluoren-9-ylidene)propanedinitrile

C20H16N2 — CID 89009110

IUPAC2-(2,7-diethylfluoren-9-ylidene)propanedinitrile
SMILESCCc1ccc2c(c1)C(=C(C#N)C#N)c1cc(CC)ccc1-2
InChIInChI=1S/C20H16N2/c1-3-13-5-7-16-17-8-6-14(4-2)10-19(17)20(18(16)9-13)15(11-21)12-22/h5-10H,3-4H2,1-2H3
InChIKeyZQJLNWUQJHHHDB-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.64
Rot. Bonds2

About 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile

2-(2,7-diethylfluoren-9-ylidene)propanedinitrile (PubChem CID 89009110) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,7-diethylfluoren-9-ylidene)propanedinitrile
PubChem CID89009110
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-(2,7-diethylfluoren-9-ylidene)propanedinitrile
SMILESCCc1ccc2c(c1)C(=C(C#N)C#N)c1cc(CC)ccc1-2
InChIInChI=1S/C20H16N2/c1-3-13-5-7-16-17-8-6-14(4-2)10-19(17)20(18(16)9-13)15(11-21)12-22/h5-10H,3-4H2,1-2H3
InChIKeyZQJLNWUQJHHHDB-UHFFFAOYSA-N
XLogP4.64
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile?
The IUPAC name of 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile (CID 89009110) is 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile?
The canonical SMILES for 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile is CCc1ccc2c(c1)C(=C(C#N)C#N)c1cc(CC)ccc1-2.
What is the InChIKey of 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile?
The InChIKey is ZQJLNWUQJHHHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-13-5-7-16-17-8-6-14(4-2)10-19(17)20(18(16)9-13)15(11-21)12-22/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile?
2-(2,7-diethylfluoren-9-ylidene)propanedinitrile has a molecular weight of 284.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diethylfluoren-9-ylidene)propanedinitrile is sourced from PubChem (CID 89009110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).