7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile

C24H10N2O2 — CID 121361810

IUPAC7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile
SMILESN#CC1=C(c2ccc3c(c2)C(=O)c2cc(C#N)ccc2-3)C(=O)c2ccccc21
InChIInChI=1S/C24H10N2O2/c25-11-13-5-7-16-17-8-6-14(10-20(17)23(27)19(16)9-13)22-21(12-26)15-3-1-2-4-18(15)24(22)28/h1-10H
InChIKeyPDSHZAIAFVPYAM-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.40
Rot. Bonds1

About 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile

7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile (PubChem CID 121361810) has the molecular formula C24H10N2O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile.

Molecular Properties

Compound Name7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile
PubChem CID121361810
Molecular FormulaC24H10N2O2
Molecular Weight358.36 g/mol
Exact Mass358.07
IUPAC Name7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile
SMILESN#CC1=C(c2ccc3c(c2)C(=O)c2cc(C#N)ccc2-3)C(=O)c2ccccc21
InChIInChI=1S/C24H10N2O2/c25-11-13-5-7-16-17-8-6-14(10-20(17)23(27)19(16)9-13)22-21(12-26)15-3-1-2-4-18(15)24(22)28/h1-10H
InChIKeyPDSHZAIAFVPYAM-UHFFFAOYSA-N
XLogP4.40
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9,10-dioxoanthracene-2-carbonitrile
CID 13182761
9-oxofluorene-3-carbonitrile
CID 1237535
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
3-oxoindene-1,2-dicarbonitrile
CID 154003103
10-oxo-9H-anthracene-2,6-dicarbonitrile
CID 154632317
2-ethylidene-1,3-dioxoindene-5-carbonitrile
CID 145350850
2-[5-(9,10-dioxophenanthren-2-yl)naphthalen-1-yl]phenanthrene-9,10-dione
CID 58300937
2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one
CID 86020622
5,8-dioxo-6,7-dipropoxynaphthalene-2-carbonitrile
CID 149158683
2-(3-sulfanylprop-1-ynyl)fluoren-9-one
CID 169487549
N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide
CID 42091649
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 169297037

Frequently Asked Questions

What is the IUPAC name of 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile?
The IUPAC name of 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile (CID 121361810) is 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile.
What is the SMILES notation for 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile?
The canonical SMILES for 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile is N#CC1=C(c2ccc3c(c2)C(=O)c2cc(C#N)ccc2-3)C(=O)c2ccccc21.
What is the InChIKey of 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile?
The InChIKey is PDSHZAIAFVPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N2O2/c25-11-13-5-7-16-17-8-6-14(10-20(17)23(27)19(16)9-13)22-21(12-26)15-3-1-2-4-18(15)24(22)28/h1-10H.
What are the key properties of 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile?
7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile has a molecular weight of 358.36 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile is sourced from PubChem (CID 121361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).