bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)

C26H16Cu2F6N4Se2 — CID 139041802

IUPACbis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)
SMILESFC(F)(F)[Se-].FC(F)(F)[Se-].[Cu+].[Cu+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2CHF3Se.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;;/h2*1-8H;2*5H;;/q;;;;2*+1/p-2
InChIKeyMWQIXNCJFDVEAS-UHFFFAOYSA-L
MW783.44 g/mol
LogP6.91
Rot. Bonds

About bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)

bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate) (PubChem CID 139041802) has the molecular formula C26H16Cu2F6N4Se2 and a molecular weight of 783.44 g/mol. Its IUPAC name is bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate).

Molecular Properties

Compound Namebis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)
PubChem CID139041802
Molecular FormulaC26H16Cu2F6N4Se2
Molecular Weight783.44 g/mol
Exact Mass783.82
IUPAC Namebis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)
SMILESFC(F)(F)[Se-].FC(F)(F)[Se-].[Cu+].[Cu+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2CHF3Se.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;;/h2*1-8H;2*5H;;/q;;;;2*+1/p-2
InChIKeyMWQIXNCJFDVEAS-UHFFFAOYSA-L
XLogP6.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.44
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(1,10-phenanthroline)copper(2+)
CID 146186
Bis(cyano-C)bis(1,10-phenanthroline-N1,N10)iron
CID 167165
2-(2-Quinoxalin-2-ylethyl)-1,10-phenanthroline
CID 70114529
2-(2-Quinolin-2-ylethyl)-1,10-phenanthroline
CID 70116349
Bis(1,10-phenanthroline)palladium(II) Bis(hexafluorophosphate)
CID 46192367
CID 140913198
CID 140913198
Dibromo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane;1,10-phenanthroline
CID 5200160
Bis(1,10-phenanthroline)copper(1+) ion
CID 65256
2,9-Di(pyridin-2-yl)-1,10-phenanthroline
CID 12145891
Cu(II)(phen-cyclam)
CID 467378
cis-Dichlorobis(1,10-phenanthroline)chromium(1+) chloride dihydrate
CID 161701
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)?
The IUPAC name of bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate) (CID 139041802) is bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate).
What is the SMILES notation for bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)?
The canonical SMILES for bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate) is FC(F)(F)[Se-].FC(F)(F)[Se-].[Cu+].[Cu+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)?
The InChIKey is MWQIXNCJFDVEAS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.2CHF3Se.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;;/h2*1-8H;2*5H;;/q;;;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)?
bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate) has a molecular weight of 783.44 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate) is sourced from PubChem (CID 139041802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).