10-oxo-9H-anthracene-2,6-dicarbonitrile

C16H8N2O — CID 154632317

IUPAC10-oxo-9H-anthracene-2,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)Cc1ccc(C#N)cc1C2=O
InChIInChI=1S/C16H8N2O/c17-8-10-2-4-14-13(5-10)7-12-3-1-11(9-18)6-15(12)16(14)19/h1-6H,7H2
InChIKeyFCCNOMXHBUEPLJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.57
Rot. Bonds

About 10-oxo-9H-anthracene-2,6-dicarbonitrile

10-oxo-9H-anthracene-2,6-dicarbonitrile (PubChem CID 154632317) has the molecular formula C16H8N2O and a molecular weight of 244.25 g/mol. Its IUPAC name is 10-oxo-9H-anthracene-2,6-dicarbonitrile.

Molecular Properties

Compound Name10-oxo-9H-anthracene-2,6-dicarbonitrile
PubChem CID154632317
Molecular FormulaC16H8N2O
Molecular Weight244.25 g/mol
Exact Mass244.06
IUPAC Name10-oxo-9H-anthracene-2,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)Cc1ccc(C#N)cc1C2=O
InChIInChI=1S/C16H8N2O/c17-8-10-2-4-14-13(5-10)7-12-3-1-11(9-18)6-15(12)16(14)19/h1-6H,7H2
InChIKeyFCCNOMXHBUEPLJ-UHFFFAOYSA-N
XLogP2.57
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,10-dioxoanthracene-2-carbonitrile
CID 13182761
9-oxofluorene-3-carbonitrile
CID 1237535
14-cyano-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylic acid
CID 12525900
1-oxo-2-sulfanyl-3H-isoindole-5-carbonitrile
CID 134582742
1-oxo-3H-2-benzofuran-5-carbonitrile
CID 821218
10-oxo-9H-thioxanthene-3-carbonitrile
CID 70623834
2-ethylidene-1,3-dioxoindene-5-carbonitrile
CID 145350850
10-oxo-9H-anthracene-2,6-disulfonic acid
CID 169091723
7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile
CID 121361810
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736
(6-cyano-2-methyl-3H-inden-1-yl) acetate
CID 70629462
11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile
CID 90238920

Frequently Asked Questions

What is the IUPAC name of 10-oxo-9H-anthracene-2,6-dicarbonitrile?
The IUPAC name of 10-oxo-9H-anthracene-2,6-dicarbonitrile (CID 154632317) is 10-oxo-9H-anthracene-2,6-dicarbonitrile.
What is the SMILES notation for 10-oxo-9H-anthracene-2,6-dicarbonitrile?
The canonical SMILES for 10-oxo-9H-anthracene-2,6-dicarbonitrile is N#Cc1ccc2c(c1)Cc1ccc(C#N)cc1C2=O.
What is the InChIKey of 10-oxo-9H-anthracene-2,6-dicarbonitrile?
The InChIKey is FCCNOMXHBUEPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O/c17-8-10-2-4-14-13(5-10)7-12-3-1-11(9-18)6-15(12)16(14)19/h1-6H,7H2.
What are the key properties of 10-oxo-9H-anthracene-2,6-dicarbonitrile?
10-oxo-9H-anthracene-2,6-dicarbonitrile has a molecular weight of 244.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-9H-anthracene-2,6-dicarbonitrile is sourced from PubChem (CID 154632317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).