manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate

C36H96F12Mn4N12O6P2-2 — CID 159801250

IUPACmanganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate
SMILESCN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn]
InChIInChI=1S/4C9H21N3.2F6P.4Mn.6H2O/c4*1-10-4-6-11(2)8-9-12(3)7-5-10;2*1-7(2,3,4,5)6;;;;;;;;;;/h4*4-9H2,1-3H3;;;;;;;6*1H2/q;;;;2*-1;;;;;;;;;;
InChIKeyDITVCBUKYBKUCF-UHFFFAOYSA-N
MW1302.92 g/mol
LogP0.99
Rot. Bonds

About manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate

manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate (PubChem CID 159801250) has the molecular formula C36H96F12Mn4N12O6P2-2 and a molecular weight of 1302.92 g/mol. Its IUPAC name is manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate.

Molecular Properties

Compound Namemanganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate
PubChem CID159801250
Molecular FormulaC36H96F12Mn4N12O6P2-2
Molecular Weight1302.92 g/mol
Exact Mass1302.44
IUPAC Namemanganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate
SMILESCN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn]
InChIInChI=1S/4C9H21N3.2F6P.4Mn.6H2O/c4*1-10-4-6-11(2)8-9-12(3)7-5-10;2*1-7(2,3,4,5)6;;;;;;;;;;/h4*4-9H2,1-3H3;;;;;;;6*1H2/q;;;;2*-1;;;;;;;;;;
InChIKeyDITVCBUKYBKUCF-UHFFFAOYSA-N
XLogP0.99
TPSA227.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.92
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

CID 162293338
CID 162293338
1,4-dimethylpiperazine;ethane
CID 91292414
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 82892605
1,4-dimethylpiperazine;iron(5+);pentacyanide
CID 88790382
4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol;manganese(3+);trihexafluorophosphate;hydrate
CID 175809053
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096

Frequently Asked Questions

What is the IUPAC name of manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate?
The IUPAC name of manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate (CID 159801250) is manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate.
What is the SMILES notation for manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate?
The canonical SMILES for manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate is CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C)CC1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn].
What is the InChIKey of manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate?
The InChIKey is DITVCBUKYBKUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H21N3.2F6P.4Mn.6H2O/c4*1-10-4-6-11(2)8-9-12(3)7-5-10;2*1-7(2,3,4,5)6;;;;;;;;;;/h4*4-9H2,1-3H3;;;;;;;6*1H2/q;;;;2*-1;;;;;;;;;;.
What are the key properties of manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate?
manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate has a molecular weight of 1302.92 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate is sourced from PubChem (CID 159801250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).