bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate

C36H34CrF18N10P3 — CID 139189273

IUPACbis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate
SMILESCC#N.CC#N.CN(c1ccccn1)c1cccc(N(C)c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cr+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C17H17N5.C15H11N3.2C2H3N.Cr.3F6P/c1-21(14-8-3-5-12-18-14)16-10-7-11-17(20-16)22(2)15-9-4-6-13-19-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;;3*1-7(2,3,4,5)6/h3-13H,1-2H3;1-11H;2*1H3;;;;/q;;;;+3;3*-1
InChIKeyZIIDPMLWPVCEFS-UHFFFAOYSA-N
MW1093.62 g/mol
LogP17.82
Rot. Bonds6

About bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate

bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate (PubChem CID 139189273) has the molecular formula C36H34CrF18N10P3 and a molecular weight of 1093.62 g/mol. Its IUPAC name is bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate
PubChem CID139189273
Molecular FormulaC36H34CrF18N10P3
Molecular Weight1093.62 g/mol
Exact Mass1093.13
IUPAC Namebis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate
SMILESCC#N.CC#N.CN(c1ccccn1)c1cccc(N(C)c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cr+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C17H17N5.C15H11N3.2C2H3N.Cr.3F6P/c1-21(14-8-3-5-12-18-14)16-10-7-11-17(20-16)22(2)15-9-4-6-13-19-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;;3*1-7(2,3,4,5)6/h3-13H,1-2H3;1-11H;2*1H3;;;;/q;;;;+3;3*-1
InChIKeyZIIDPMLWPVCEFS-UHFFFAOYSA-N
XLogP17.82
TPSA131.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.62
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[Pt(H2bapbpy)] platinum
CID 138753337
oxidanium;2,6-dipyridin-2-ylpyridine;N-pyridin-2-yl-N-(3-pyrrol-1-ylpropyl)pyridin-2-amine;ruthenium(2+);bis(trifluoromethanesulfonate);dihydrate
CID 168337752
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
CID 139035237
tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate
CID 139103199
2,6-dipyridin-2-ylpyridine;N-pyridin-2-ylpyridin-2-amine;ruthenium(2+);nitrite;perchlorate
CID 139130055
Bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
Acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
CID 139141362
CID 139141364
CID 139141364
Bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139142695
bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139171912
tris(iron(2+));tris(N-pyridin-2-yl-6-[6-(pyridin-2-ylamino)-2-pyridinyl]pyridin-2-amine);hexaisothiocyanate
CID 139180662
tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate
CID 139181728

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate?
The IUPAC name of bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate (CID 139189273) is bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate is CC#N.CC#N.CN(c1ccccn1)c1cccc(N(C)c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cr+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate?
The InChIKey is ZIIDPMLWPVCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5.C15H11N3.2C2H3N.Cr.3F6P/c1-21(14-8-3-5-12-18-14)16-10-7-11-17(20-16)22(2)15-9-4-6-13-19-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;;3*1-7(2,3,4,5)6/h3-13H,1-2H3;1-11H;2*1H3;;;;/q;;;;+3;3*-1.
What are the key properties of bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate?
bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate has a molecular weight of 1093.62 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;2,6-dipyridin-2-ylpyridine;trihexafluorophosphate is sourced from PubChem (CID 139189273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).