3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile

C26H12N2O2 — CID 129184944

IUPAC3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)c(=O)c2cc3c(=O)c(-c4ccccc4)c(C#N)c3cc12
InChIInChI=1S/C26H12N2O2/c27-13-21-17-11-18-20(12-19(17)25(29)23(21)15-7-3-1-4-8-15)26(30)24(22(18)14-28)16-9-5-2-6-10-16/h1-12H
InChIKeyUCPMCOZDCIXZFU-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.67
Rot. Bonds2

About 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile

3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile (PubChem CID 129184944) has the molecular formula C26H12N2O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile.

Molecular Properties

Compound Name3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
PubChem CID129184944
Molecular FormulaC26H12N2O2
Molecular Weight384.39 g/mol
Exact Mass384.09
IUPAC Name3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)c(=O)c2cc3c(=O)c(-c4ccccc4)c(C#N)c3cc12
InChIInChI=1S/C26H12N2O2/c27-13-21-17-11-18-20(12-19(17)25(29)23(21)15-7-3-1-4-8-15)26(30)24(22(18)14-28)16-9-5-2-6-10-16/h1-12H
InChIKeyUCPMCOZDCIXZFU-UHFFFAOYSA-N
XLogP4.67
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione
CID 102360983
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CID 14269650
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
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2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile
CID 158089522
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 163600910
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
13-amino-2,9,17-trioxo-15-phenyl-1,10,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene-14-carbonitrile
CID 11794207
1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 11393471
6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
CID 154635041
3-oxo-1-phenylbenzo[f]chromene-2-carbonitrile
CID 102100955
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile?
The IUPAC name of 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile (CID 129184944) is 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile.
What is the SMILES notation for 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile?
The canonical SMILES for 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile is N#Cc1c(-c2ccccc2)c(=O)c2cc3c(=O)c(-c4ccccc4)c(C#N)c3cc12.
What is the InChIKey of 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile?
The InChIKey is UCPMCOZDCIXZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12N2O2/c27-13-21-17-11-18-20(12-19(17)25(29)23(21)15-7-3-1-4-8-15)26(30)24(22(18)14-28)16-9-5-2-6-10-16/h1-12H.
What are the key properties of 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile?
3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile has a molecular weight of 384.39 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile is sourced from PubChem (CID 129184944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).