3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile

C21H12N2 — CID 141495090

IUPAC3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2cccc3c2Cc2ccccc2-3)c1C#N
InChIInChI=1S/C21H12N2/c22-12-15-6-3-8-19(21(15)13-23)18-10-4-9-17-16-7-2-1-5-14(16)11-20(17)18/h1-10H,11H2
InChIKeyPVGDSNAAIOVNSK-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.67
Rot. Bonds1

About 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile

3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile (PubChem CID 141495090) has the molecular formula C21H12N2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
PubChem CID141495090
Molecular FormulaC21H12N2
Molecular Weight292.34 g/mol
Exact Mass292.10
IUPAC Name3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2cccc3c2Cc2ccccc2-3)c1C#N
InChIInChI=1S/C21H12N2/c22-12-15-6-3-8-19(21(15)13-23)18-10-4-9-17-16-7-2-1-5-14(16)11-20(17)18/h1-10H,11H2
InChIKeyPVGDSNAAIOVNSK-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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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-(9H-fluoren-1-yl)benzonitrile
CID 154389455
5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
CID 172779632
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-prop-1-ynyl-9H-fluorene
CID 151757411
3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 175992914
CID 123562270
CID 123562270
10-oxo-1,4-bis(sulfanyl)-9H-anthracene-2,3-dicarbonitrile
CID 140979793
1,2-bis(2-ethynylphenyl)-9H-fluorene
CID 139911372
Fluorenylsilane
CID 22104606
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
3-(9H-fluoren-1-yl)benzene-1,2-diamine
CID 66643080

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile (CID 141495090) is 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile is N#Cc1cccc(-c2cccc3c2Cc2ccccc2-3)c1C#N.
What is the InChIKey of 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile?
The InChIKey is PVGDSNAAIOVNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2/c22-12-15-6-3-8-19(21(15)13-23)18-10-4-9-17-16-7-2-1-5-14(16)11-20(17)18/h1-10H,11H2.
What are the key properties of 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile?
3-(9H-fluoren-1-yl)benzene-1,2-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 3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 141495090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).