3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione

C18H10N2O6 — CID 144650926

IUPAC3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)C1/N=N/C1C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C18H10N2O6/c21-15-9-5-1-3-7-11(9)25-17(23)13(15)19-20-14-16(22)10-6-2-4-8-12(10)26-18(14)24/h1-8,13-14H/b20-19+
InChIKeyUJQCGTHEGMBSFK-FMQUCBEESA-N
MW350.29 g/mol
LogP1.78
Rot. Bonds2

About 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione

3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione (PubChem CID 144650926) has the molecular formula C18H10N2O6 and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione
PubChem CID144650926
Molecular FormulaC18H10N2O6
Molecular Weight350.29 g/mol
Exact Mass350.05
IUPAC Name3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)C1/N=N/C1C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C18H10N2O6/c21-15-9-5-1-3-7-11(9)25-17(23)13(15)19-20-14-16(22)10-6-2-4-8-12(10)26-18(14)24/h1-8,13-14H/b20-19+
InChIKeyUJQCGTHEGMBSFK-FMQUCBEESA-N
XLogP1.78
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione?
The IUPAC name of 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione (CID 144650926) is 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione.
What is the SMILES notation for 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione?
The canonical SMILES for 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)C1/N=N/C1C(=O)Oc2ccccc2C1=O.
What is the InChIKey of 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione?
The InChIKey is UJQCGTHEGMBSFK-FMQUCBEESA-N. The full InChI is InChI=1S/C18H10N2O6/c21-15-9-5-1-3-7-11(9)25-17(23)13(15)19-20-14-16(22)10-6-2-4-8-12(10)26-18(14)24/h1-8,13-14H/b20-19+.
What are the key properties of 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione?
3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione has a molecular weight of 350.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione is sourced from PubChem (CID 144650926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).