bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)

C35H25BiCuO25 — CID 175210164

IUPACbismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].[Cu+2]
InChIInChI=1S/5C7H6O5.Bi.Cu/c5*8-4-1-3(7(11)12)2-5(9)6(4)10;;/h5*1-2,8-10H,(H,11,12);;/q;;;;;+3;+2/p-5
InChIKeyVQSZCINEUBTACO-UHFFFAOYSA-I
MW1118.09 g/mol
LogP-1.04
Rot. Bonds5

About bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)

bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate) (PubChem CID 175210164) has the molecular formula C35H25BiCuO25 and a molecular weight of 1118.09 g/mol. Its IUPAC name is bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate).

Molecular Properties

Compound Namebismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
PubChem CID175210164
Molecular FormulaC35H25BiCuO25
Molecular Weight1118.09 g/mol
Exact Mass1116.98
IUPAC Namebismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].[Cu+2]
InChIInChI=1S/5C7H6O5.Bi.Cu/c5*8-4-1-3(7(11)12)2-5(9)6(4)10;;/h5*1-2,8-10H,(H,11,12);;/q;;;;;+3;+2/p-5
InChIKeyVQSZCINEUBTACO-UHFFFAOYSA-I
XLogP-1.04
TPSA504.10 Ų
H-Bond Donors15
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1020

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)?
The IUPAC name of bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate) (CID 175210164) is bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate).
What is the SMILES notation for bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)?
The canonical SMILES for bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate) is O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].[Cu+2].
What is the InChIKey of bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)?
The InChIKey is VQSZCINEUBTACO-UHFFFAOYSA-I. The full InChI is InChI=1S/5C7H6O5.Bi.Cu/c5*8-4-1-3(7(11)12)2-5(9)6(4)10;;/h5*1-2,8-10H,(H,11,12);;/q;;;;;+3;+2/p-5.
What are the key properties of bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)?
bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate) has a molecular weight of 1118.09 g/mol, XLogP of -1.04, 5 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate) is sourced from PubChem (CID 175210164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).