zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate

C36H36F12N6O6P2Zn — CID 139176301

IUPACzinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Zn+2]
InChIInChI=1S/3C12H12N2O2.2F6P.Zn/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
InChIKeyHWXBGFMMXZFCGP-UHFFFAOYSA-N
MW1004.03 g/mol
LogP13.24
Rot. Bonds9

About zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate

zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate (PubChem CID 139176301) has the molecular formula C36H36F12N6O6P2Zn and a molecular weight of 1004.03 g/mol. Its IUPAC name is zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate.

Molecular Properties

Compound Namezinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate
PubChem CID139176301
Molecular FormulaC36H36F12N6O6P2Zn
Molecular Weight1004.03 g/mol
Exact Mass1002.13
IUPAC Namezinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Zn+2]
InChIInChI=1S/3C12H12N2O2.2F6P.Zn/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
InChIKeyHWXBGFMMXZFCGP-UHFFFAOYSA-N
XLogP13.24
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001004.03
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);2-[2-[2-[[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethanol;iridium
CID 171721161
1,2-Bis(2-([2,2':6',2''-terpyridin]-4'-yloxy)ethoxy)ethane
CID 12127307
1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane
CID 15537346
1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane
CID 86062380
1,4-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]butane
CID 101507031
Bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate
CID 139136726
bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate
CID 139143424
bis(3,3-(propylenedioxy)-2,2-bipyridine)-palladium(II) bis(hexafluorophosphate)
CID 139150659
bis(3,3-(butylenedioxy)-2,2-bipyridine)-palladium(II) bis(hexafluorophosphate)
CID 139150660
Tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate
CID 139158992
N-(4-methoxyphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-imine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139163128
Cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate
CID 139165584

Frequently Asked Questions

What is the IUPAC name of zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate?
The IUPAC name of zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate (CID 139176301) is zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate.
What is the SMILES notation for zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate?
The canonical SMILES for zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Zn+2].
What is the InChIKey of zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate?
The InChIKey is HWXBGFMMXZFCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2.2F6P.Zn/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2.
What are the key properties of zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate?
zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate has a molecular weight of 1004.03 g/mol, XLogP of 13.24, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate is sourced from PubChem (CID 139176301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).