5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile

C21H12N2 — CID 172779632

IUPAC5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C21H12N2/c22-12-14-8-15(13-23)10-17(9-14)19-6-3-7-20-18-5-2-1-4-16(18)11-21(19)20/h1-10H,11H2
InChIKeyOBRKSKNIWPOWOA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.67
Rot. Bonds1

About 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile

5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile (PubChem CID 172779632) has the molecular formula C21H12N2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
PubChem CID172779632
Molecular FormulaC21H12N2
Molecular Weight292.34 g/mol
Exact Mass292.10
IUPAC Name5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C21H12N2/c22-12-14-8-15(13-23)10-17(9-14)19-6-3-7-20-18-5-2-1-4-16(18)11-21(19)20/h1-10H,11H2
InChIKeyOBRKSKNIWPOWOA-UHFFFAOYSA-N
XLogP4.67
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile (CID 172779632) is 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile?
The InChIKey is OBRKSKNIWPOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2/c22-12-14-8-15(13-23)10-17(9-14)19-6-3-7-20-18-5-2-1-4-16(18)11-21(19)20/h1-10H,11H2.
What are the key properties of 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile?
5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile has a molecular weight of 292.34 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 172779632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).