cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate

C60H68CdF12N6O15P2 — CID 139077580

IUPACcadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.O.[Cd+2].c1ccc(-c2cc(OCc3ccc4c(c3)OCCOCCOCCOCCO4)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCc3ccc4c(c3)OCCOCCOCCOCCO4)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C30H31N3O6.Cd.2F6P.3H2O/c2*1-3-9-31-25(5-1)27-20-24(21-28(33-27)26-6-2-4-10-32-26)39-22-23-7-8-29-30(19-23)38-18-16-36-14-12-34-11-13-35-15-17-37-29;;2*1-7(2,3,4,5)6;;;/h2*1-10,19-21H,11-18,22H2;;;;3*1H2/q;;+2;2*-1;;;
InChIKeyWCLGSGMBXHKELT-UHFFFAOYSA-N
MW1515.57 g/mol
LogP13.50
Rot. Bonds10

About cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate

cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate (PubChem CID 139077580) has the molecular formula C60H68CdF12N6O15P2 and a molecular weight of 1515.57 g/mol. Its IUPAC name is cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate.

Molecular Properties

Compound Namecadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate
PubChem CID139077580
Molecular FormulaC60H68CdF12N6O15P2
Molecular Weight1515.57 g/mol
Exact Mass1516.31
IUPAC Namecadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.O.[Cd+2].c1ccc(-c2cc(OCc3ccc4c(c3)OCCOCCOCCOCCO4)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCc3ccc4c(c3)OCCOCCOCCOCCO4)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C30H31N3O6.Cd.2F6P.3H2O/c2*1-3-9-31-25(5-1)27-20-24(21-28(33-27)26-6-2-4-10-32-26)39-22-23-7-8-29-30(19-23)38-18-16-36-14-12-34-11-13-35-15-17-37-29;;2*1-7(2,3,4,5)6;;;/h2*1-10,19-21H,11-18,22H2;;;;3*1H2/q;;+2;2*-1;;;
InChIKeyWCLGSGMBXHKELT-UHFFFAOYSA-N
XLogP13.50
TPSA282.60 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001515.57
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate with MolForge

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Related Compounds

Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)nickel(ii) bis(hexafluorophosphate) ethanol disolvate monohydrate
CID 139149263
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)cobalt(ii) bis(hexafluorophosphate) trihydrate
CID 139149264
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine) copper(ii) bis(hexafluorophosphate)
CID 139149265
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)zinc(ii) bis(hexafluorophosphate) trihydrate
CID 139149266
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine) cobalt(ii) bis(thiocyanate)
CID 139149267
(4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)-methyloxy-2,2':6',2''-terpyridine)
CID 139149268
((4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)-methyloxy-2,2':6',2''-terpyridine) (4'-(4'''-benzo-15-crown-5-sodium dithiocyanate)-methyloxy-2,2':6',2''-terpyridine)) copper(ii) thiocyanate acetonitrile
CID 139149269
Acetonitrile;iron(2+);bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139152439
Bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
CID 139152440
Acetonitrile;bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139152441
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]iron(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160959
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]cobalt(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160960

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate?
The IUPAC name of cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate (CID 139077580) is cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate.
What is the SMILES notation for cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate?
The canonical SMILES for cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.O.[Cd+2].c1ccc(-c2cc(OCc3ccc4c(c3)OCCOCCOCCOCCO4)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCc3ccc4c(c3)OCCOCCOCCOCCO4)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate?
The InChIKey is WCLGSGMBXHKELT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H31N3O6.Cd.2F6P.3H2O/c2*1-3-9-31-25(5-1)27-20-24(21-28(33-27)26-6-2-4-10-32-26)39-22-23-7-8-29-30(19-23)38-18-16-36-14-12-34-11-13-35-15-17-37-29;;2*1-7(2,3,4,5)6;;;/h2*1-10,19-21H,11-18,22H2;;;;3*1H2/q;;+2;2*-1;;;.
What are the key properties of cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate?
cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate has a molecular weight of 1515.57 g/mol, XLogP of 13.50, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate;trihydrate is sourced from PubChem (CID 139077580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).