tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate

C43H35Cu4F24N25OP4Se7 — CID 139137538

IUPACtetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate
SMILESCC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Cu+].[Cu+].[Cu+].[Cu+].c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1
InChIInChI=1S/7C5H3N3Se.4C2H3N.4Cu.4F6P.H2O/c7*1-2-4-5(6-3-1)8-9-7-4;4*1-2-3;;;;;4*1-7(2,3,4,5)6;/h7*1-3H;4*1H3;;;;;;;;;1H2/q;;;;;;;;;;;4*+1;4*-1;
InChIKeyFTRNLBMWXRVJTC-UHFFFAOYSA-N
MW2304.68 g/mol
LogP15.39
Rot. Bonds

About tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate

tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate (PubChem CID 139137538) has the molecular formula C43H35Cu4F24N25OP4Se7 and a molecular weight of 2304.68 g/mol. Its IUPAC name is tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate.

Molecular Properties

Compound Nametetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate
PubChem CID139137538
Molecular FormulaC43H35Cu4F24N25OP4Se7
Molecular Weight2304.68 g/mol
Exact Mass2308.34
IUPAC Nametetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate
SMILESCC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Cu+].[Cu+].[Cu+].[Cu+].c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1
InChIInChI=1S/7C5H3N3Se.4C2H3N.4Cu.4F6P.H2O/c7*1-2-4-5(6-3-1)8-9-7-4;4*1-2-3;;;;;4*1-7(2,3,4,5)6;/h7*1-3H;4*1H3;;;;;;;;;1H2/q;;;;;;;;;;;4*+1;4*-1;
InChIKeyFTRNLBMWXRVJTC-UHFFFAOYSA-N
XLogP15.39
TPSA397.35 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.68
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate?
The IUPAC name of tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate (CID 139137538) is tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate.
What is the SMILES notation for tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate?
The canonical SMILES for tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate is CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Cu+].[Cu+].[Cu+].[Cu+].c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.c1cnc2n[se]nc2c1.
What is the InChIKey of tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate?
The InChIKey is FTRNLBMWXRVJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/7C5H3N3Se.4C2H3N.4Cu.4F6P.H2O/c7*1-2-4-5(6-3-1)8-9-7-4;4*1-2-3;;;;;4*1-7(2,3,4,5)6;/h7*1-3H;4*1H3;;;;;;;;;1H2/q;;;;;;;;;;;4*+1;4*-1;.
What are the key properties of tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate?
tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate has a molecular weight of 2304.68 g/mol, XLogP of 15.39, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate is sourced from PubChem (CID 139137538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).