4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile

C23H16N2O3 — CID 89336169

IUPAC4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1C2=C1C=CC(C#N)(C#N)C=C1
InChIInChI=1S/C23H16N2O3/c1-26-16-3-5-18-20(11-16)28-21-12-17(27-2)4-6-19(21)22(18)15-7-9-23(13-24,14-25)10-8-15/h3-12H,1-2H3
InChIKeyLYHPSCFDKMMZTK-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.77
Rot. Bonds2

About 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile

4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile (PubChem CID 89336169) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile.

Molecular Properties

Compound Name4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile
PubChem CID89336169
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1C2=C1C=CC(C#N)(C#N)C=C1
InChIInChI=1S/C23H16N2O3/c1-26-16-3-5-18-20(11-16)28-21-12-17(27-2)4-6-19(21)22(18)15-7-9-23(13-24,14-25)10-8-15/h3-12H,1-2H3
InChIKeyLYHPSCFDKMMZTK-UHFFFAOYSA-N
XLogP4.77
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclopentylidene-3,6-dimethoxyxanthene
CID 71740302
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
7-methoxy-3-methylidenechromene-2,4-dione
CID 14090723
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532
5-(dimethylamino)-8-methoxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82244240
(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
CID 11826912
6-(4-chlorobutyl)-9-methoxybenzo[b][1,4]benzoxazepine
CID 10519453
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
3,6-dimethoxy-9-propan-2-yl-9H-xanthene
CID 71740305
6-methoxy-1-benzofuran-3-one
CID 585368
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione
CID 58389356

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile?
The IUPAC name of 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile (CID 89336169) is 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile.
What is the SMILES notation for 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile?
The canonical SMILES for 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile is COc1ccc2c(c1)Oc1cc(OC)ccc1C2=C1C=CC(C#N)(C#N)C=C1.
What is the InChIKey of 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile?
The InChIKey is LYHPSCFDKMMZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c1-26-16-3-5-18-20(11-16)28-21-12-17(27-2)4-6-19(21)22(18)15-7-9-23(13-24,14-25)10-8-15/h3-12H,1-2H3.
What are the key properties of 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile?
4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile has a molecular weight of 368.39 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile is sourced from PubChem (CID 89336169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).