(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C23H15NO5 — CID 125428773

IUPAC(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2ccncc2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1
InChIInChI=1S/C23H15NO5/c25-17-11-18-20(15(10-19(26)29-18)14-6-8-24-9-7-14)23-21(17)22(27)16(12-28-23)13-4-2-1-3-5-13/h1-9,11-12,15,25H,10H2/t15-/m0/s1
InChIKeyXVMWSEZHCZUVDK-HNNXBMFYSA-N
MW385.38 g/mol
LogP4.00
Rot. Bonds2

About (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125428773) has the molecular formula C23H15NO5 and a molecular weight of 385.38 g/mol. Its IUPAC name is (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID125428773
Molecular FormulaC23H15NO5
Molecular Weight385.38 g/mol
Exact Mass385.10
IUPAC Name(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2ccncc2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1
InChIInChI=1S/C23H15NO5/c25-17-11-18-20(15(10-19(26)29-18)14-6-8-24-9-7-14)23-21(17)22(27)16(12-28-23)13-4-2-1-3-5-13/h1-9,11-12,15,25H,10H2/t15-/m0/s1
InChIKeyXVMWSEZHCZUVDK-HNNXBMFYSA-N
XLogP4.00
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione with MolForge

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Related Compounds

5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826516
(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125429817
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424518
5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71753973
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045635
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
(10R)-10-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425623
(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125427861
(10S)-5-hydroxy-3-(4-methoxyphenyl)-10-(1-methylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045786
(10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125430199
(10S)-5-hydroxy-10-(2-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 96544551

Frequently Asked Questions

What is the IUPAC name of (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125428773) is (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@@H](c2ccncc2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1.
What is the InChIKey of (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is XVMWSEZHCZUVDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H15NO5/c25-17-11-18-20(15(10-19(26)29-18)14-6-8-24-9-7-14)23-21(17)22(27)16(12-28-23)13-4-2-1-3-5-13/h1-9,11-12,15,25H,10H2/t15-/m0/s1.
What are the key properties of (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 385.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).