5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione

C24H12N2O9 — CID 127050398

IUPAC5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione
SMILESO=c1c(-c2ccccc2[N+](=O)[O-])coc2cc3occ(-c4ccccc4[N+](=O)[O-])c(=O)c3c(O)c12
InChIInChI=1S/C24H12N2O9/c27-22-14(12-5-1-3-7-16(12)25(30)31)10-34-18-9-19-21(24(29)20(18)22)23(28)15(11-35-19)13-6-2-4-8-17(13)26(32)33/h1-11,29H
InChIKeyJEJJTKYZWJVMHL-UHFFFAOYSA-N
MW472.37 g/mol
LogP4.76
Rot. Bonds4

About 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione

5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione (PubChem CID 127050398) has the molecular formula C24H12N2O9 and a molecular weight of 472.37 g/mol. Its IUPAC name is 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione
PubChem CID127050398
Molecular FormulaC24H12N2O9
Molecular Weight472.37 g/mol
Exact Mass472.05
IUPAC Name5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione
SMILESO=c1c(-c2ccccc2[N+](=O)[O-])coc2cc3occ(-c4ccccc4[N+](=O)[O-])c(=O)c3c(O)c12
InChIInChI=1S/C24H12N2O9/c27-22-14(12-5-1-3-7-16(12)25(30)31)10-34-18-9-19-21(24(29)20(18)22)23(28)15(11-35-19)13-6-2-4-8-17(13)26(32)33/h1-11,29H
InChIKeyJEJJTKYZWJVMHL-UHFFFAOYSA-N
XLogP4.76
TPSA166.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione?
The IUPAC name of 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione (CID 127050398) is 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione.
What is the SMILES notation for 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione?
The canonical SMILES for 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione is O=c1c(-c2ccccc2[N+](=O)[O-])coc2cc3occ(-c4ccccc4[N+](=O)[O-])c(=O)c3c(O)c12.
What is the InChIKey of 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione?
The InChIKey is JEJJTKYZWJVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N2O9/c27-22-14(12-5-1-3-7-16(12)25(30)31)10-34-18-9-19-21(24(29)20(18)22)23(28)15(11-35-19)13-6-2-4-8-17(13)26(32)33/h1-11,29H.
What are the key properties of 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione?
5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione has a molecular weight of 472.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione is sourced from PubChem (CID 127050398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).