copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)

C40H36CuN2O10 — CID 139068568

IUPACcopper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)
SMILESCO.CO.O=C([O-])C1(O)c2ccccc2-c2ccccc21.O=C([O-])C1(O)c2ccccc2-c2ccccc21.Oc1cccnc1.Oc1cccnc1.[Cu+2]
InChIInChI=1S/2C14H10O3.2C5H5NO.2CH4O.Cu/c2*15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*7-5-2-1-3-6-4-5;2*1-2;/h2*1-8,17H,(H,15,16);2*1-4,7H;2*2H,1H3;/q;;;;;;+2/p-2
InChIKeyFROUZEMTJQEGGU-UHFFFAOYSA-L
MW768.28 g/mol
LogP2.09
Rot. Bonds2

About copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)

copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol) (PubChem CID 139068568) has the molecular formula C40H36CuN2O10 and a molecular weight of 768.28 g/mol. Its IUPAC name is copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol).

Molecular Properties

Compound Namecopper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)
PubChem CID139068568
Molecular FormulaC40H36CuN2O10
Molecular Weight768.28 g/mol
Exact Mass767.17
IUPAC Namecopper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)
SMILESCO.CO.O=C([O-])C1(O)c2ccccc2-c2ccccc21.O=C([O-])C1(O)c2ccccc2-c2ccccc21.Oc1cccnc1.Oc1cccnc1.[Cu+2]
InChIInChI=1S/2C14H10O3.2C5H5NO.2CH4O.Cu/c2*15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*7-5-2-1-3-6-4-5;2*1-2;/h2*1-8,17H,(H,15,16);2*1-4,7H;2*2H,1H3;/q;;;;;;+2/p-2
InChIKeyFROUZEMTJQEGGU-UHFFFAOYSA-L
XLogP2.09
TPSA227.42 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.28
LogP ≤ 52.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)?
The IUPAC name of copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol) (CID 139068568) is copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol).
What is the SMILES notation for copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)?
The canonical SMILES for copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol) is CO.CO.O=C([O-])C1(O)c2ccccc2-c2ccccc21.O=C([O-])C1(O)c2ccccc2-c2ccccc21.Oc1cccnc1.Oc1cccnc1.[Cu+2].
What is the InChIKey of copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)?
The InChIKey is FROUZEMTJQEGGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H10O3.2C5H5NO.2CH4O.Cu/c2*15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*7-5-2-1-3-6-4-5;2*1-2;/h2*1-8,17H,(H,15,16);2*1-4,7H;2*2H,1H3;/q;;;;;;+2/p-2.
What are the key properties of copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol)?
copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol) has a molecular weight of 768.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(9-hydroxyfluorene-9-carboxylate);methanol;bis(pyridin-3-ol) is sourced from PubChem (CID 139068568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).