2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate

C24H16F12O6P2 — CID 16679921

IUPAC2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Oc1cc(O)c2ccc(-c3cccc(-c4ccc5c(O)cc(O)cc5[o+]4)c3)[o+]c2c1
InChIInChI=1S/C24H14O6.2F6P/c25-15-9-19(27)17-4-6-21(29-23(17)11-15)13-2-1-3-14(8-13)22-7-5-18-20(28)10-16(26)12-24(18)30-22;2*1-7(2,3,4,5)6/h1-12H,(H2-2,25,26,27,28);;/q;2*-1/p+2
InChIKeyVQIYVUNCNVELQG-UHFFFAOYSA-P
MW690.31 g/mol
LogP12.66
Rot. Bonds2

About 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate

2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate (PubChem CID 16679921) has the molecular formula C24H16F12O6P2 and a molecular weight of 690.31 g/mol. Its IUPAC name is 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate.

Molecular Properties

Compound Name2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate
PubChem CID16679921
Molecular FormulaC24H16F12O6P2
Molecular Weight690.31 g/mol
Exact Mass690.02
IUPAC Name2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Oc1cc(O)c2ccc(-c3cccc(-c4ccc5c(O)cc(O)cc5[o+]4)c3)[o+]c2c1
InChIInChI=1S/C24H14O6.2F6P/c25-15-9-19(27)17-4-6-21(29-23(17)11-15)13-2-1-3-14(8-13)22-7-5-18-20(28)10-16(26)12-24(18)30-22;2*1-7(2,3,4,5)6/h1-12H,(H2-2,25,26,27,28);;/q;2*-1/p+2
InChIKeyVQIYVUNCNVELQG-UHFFFAOYSA-P
XLogP12.66
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.31
LogP ≤ 512.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate?
The IUPAC name of 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate (CID 16679921) is 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate.
What is the SMILES notation for 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate?
The canonical SMILES for 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Oc1cc(O)c2ccc(-c3cccc(-c4ccc5c(O)cc(O)cc5[o+]4)c3)[o+]c2c1.
What is the InChIKey of 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate?
The InChIKey is VQIYVUNCNVELQG-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H14O6.2F6P/c25-15-9-19(27)17-4-6-21(29-23(17)11-15)13-2-1-3-14(8-13)22-7-5-18-20(28)10-16(26)12-24(18)30-22;2*1-7(2,3,4,5)6/h1-12H,(H2-2,25,26,27,28);;/q;2*-1/p+2.
What are the key properties of 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate?
2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate has a molecular weight of 690.31 g/mol, XLogP of 12.66, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,7-dihydroxychromenylium-2-yl)phenyl]chromenylium-5,7-diol dihexafluorophosphate is sourced from PubChem (CID 16679921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).