bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)

C42H22Ce2F36N4O6 — CID 139167985

IUPACbis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)
SMILES[Ce+3].[Ce+3].[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.6C3HF6O.2Ce/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*4-2(5,6)1(10)3(7,8)9;;/h2*1-8H;6*1H;;/q;;6*-1;2*+3
InChIKeyOUPBVBVWTSNCOH-UHFFFAOYSA-N
MW1642.82 g/mol
LogP10.61
Rot. Bonds

About bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)

bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline) (PubChem CID 139167985) has the molecular formula C42H22Ce2F36N4O6 and a molecular weight of 1642.82 g/mol. Its IUPAC name is bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline).

Molecular Properties

Compound Namebis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)
PubChem CID139167985
Molecular FormulaC42H22Ce2F36N4O6
Molecular Weight1642.82 g/mol
Exact Mass1641.91
IUPAC Namebis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)
SMILES[Ce+3].[Ce+3].[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.6C3HF6O.2Ce/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*4-2(5,6)1(10)3(7,8)9;;/h2*1-8H;6*1H;;/q;;6*-1;2*+3
InChIKeyOUPBVBVWTSNCOH-UHFFFAOYSA-N
XLogP10.61
TPSA189.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001642.82
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Dibromo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane;1,10-phenanthroline
CID 5200160
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
Bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)
CID 139041802
ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate
CID 139058873
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
Bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);tetrafluoroborate
CID 139130760
Bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate
CID 139130761

Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)?
The IUPAC name of bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline) (CID 139167985) is bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline).
What is the SMILES notation for bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)?
The canonical SMILES for bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline) is [Ce+3].[Ce+3].[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)?
The InChIKey is OUPBVBVWTSNCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.6C3HF6O.2Ce/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*4-2(5,6)1(10)3(7,8)9;;/h2*1-8H;6*1H;;/q;;6*-1;2*+3.
What are the key properties of bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)?
bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline) has a molecular weight of 1642.82 g/mol, XLogP of 10.61, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline) is sourced from PubChem (CID 139167985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).