5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H16N2O6 — CID 71826018

IUPAC5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2cccc3nccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C26H16N2O6/c29-17-12-18(13-5-2-1-3-6-13)33-25-20-15(14-7-4-8-16-22(14)28-10-9-27-16)11-19(30)34-26(20)24(32)23(31)21(17)25/h1-10,12,15,31-32H,11H2
InChIKeyVKLLOFFWHHBLGD-UHFFFAOYSA-N
MW452.42 g/mol
LogP4.26
Rot. Bonds2

About 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71826018) has the molecular formula C26H16N2O6 and a molecular weight of 452.42 g/mol. Its IUPAC name is 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71826018
Molecular FormulaC26H16N2O6
Molecular Weight452.42 g/mol
Exact Mass452.10
IUPAC Name5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2cccc3nccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C26H16N2O6/c29-17-12-18(13-5-2-1-3-6-13)33-25-20-15(14-7-4-8-16-22(14)28-10-9-27-16)11-19(30)34-26(20)24(32)23(31)21(17)25/h1-10,12,15,31-32H,11H2
InChIKeyVKLLOFFWHHBLGD-UHFFFAOYSA-N
XLogP4.26
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione with MolForge

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Launch Full Analysis

Related Compounds

(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424594
(10S)-5,6-dihydroxy-2-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423998
(10S)-5,6-dihydroxy-2-phenyl-10-(2,3,4-trifluorophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97426239
methyl 2-[2-[(10R)-5,6-dihydroxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 97425235
(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423817
5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157
(10R)-5,6-dihydroxy-10-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 98885051
(10R)-10-(1,3-benzodioxol-5-yl)-5,6-dihydroxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425128
5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827308
5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637789
5,6-dihydroxy-10-[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826725
methyl 2-[(18R)-8,9-dihydroxy-6-oxo-4-phenyl-3,11-dioxa-13-azatetracyclo[8.8.0.02,7.012,17]octadeca-1,4,7,9,12(17),13,15-heptaen-18-yl]acetate
CID 97487873

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71826018) is 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1CC(c2cccc3nccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1.
What is the InChIKey of 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is VKLLOFFWHHBLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O6/c29-17-12-18(13-5-2-1-3-6-13)33-25-20-15(14-7-4-8-16-22(14)28-10-9-27-16)11-19(30)34-26(20)24(32)23(31)21(17)25/h1-10,12,15,31-32H,11H2.
What are the key properties of 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 452.42 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71826018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).