CID 162293338

C18H54F12Mn2N6O3P2+4 — CID 162293338

IUPAC—
SMILESCN1CCN(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.[2H][2H].[2H][2H].[2H][2H].[Mn+3].[Mn+3]
InChIInChI=1S/2C9H21N3.2F6P.2Mn.3H2O.3H2/c2*1-10-4-6-11(2)8-9-12(3)7-5-10;2*1-7(2,3,4,5)6;;;;;;;;/h2*4-9H2,1-3H3;;;;;3*1H2;3*1H/q;;2*-1;2*+3;;;;;;/i;;;;;;;;;3*1+1D
InChIKeyBZDFEQIIZKNYSQ-CCPANTFBSA-N
MW808.51 g/mol
LogP4.61
Rot. Bonds

About CID 162293338

CID 162293338 (PubChem CID 162293338) has the molecular formula C18H54F12Mn2N6O3P2+4 and a molecular weight of 808.51 g/mol.

Molecular Properties

Compound NameCID 162293338
PubChem CID162293338
Molecular FormulaC18H54F12Mn2N6O3P2+4
Molecular Weight808.51 g/mol
Exact Mass808.27
IUPAC Name—
SMILESCN1CCN(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.[2H][2H].[2H][2H].[2H][2H].[Mn+3].[Mn+3]
InChIInChI=1S/2C9H21N3.2F6P.2Mn.3H2O.3H2/c2*1-10-4-6-11(2)8-9-12(3)7-5-10;2*1-7(2,3,4,5)6;;;;;;;;/h2*4-9H2,1-3H3;;;;;3*1H2;3*1H/q;;2*-1;2*+3;;;;;;/i;;;;;;;;;3*1+1D
InChIKeyBZDFEQIIZKNYSQ-CCPANTFBSA-N
XLogP4.61
TPSA113.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500808.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate
CID 159801250
1,4-dimethylpiperazine;ethane
CID 91292414
4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol;manganese(3+);trihexafluorophosphate;hydrate
CID 175809053
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
1,4-dimethylpiperazine;iron(5+);pentacyanide
CID 88790382
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435
CID 10917762
CID 10917762
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
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892

Frequently Asked Questions

What is the IUPAC name of CID 162293338?
The IUPAC name of CID 162293338 (CID 162293338) is not available.
What is the SMILES notation for CID 162293338?
The canonical SMILES for CID 162293338 is 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.[2H][2H].[2H][2H].[2H][2H].[Mn+3].[Mn+3].
What is the InChIKey of CID 162293338?
The InChIKey is BZDFEQIIZKNYSQ-CCPANTFBSA-N. The full InChI is InChI=1S/2C9H21N3.2F6P.2Mn.3H2O.3H2/c2*1-10-4-6-11(2)8-9-12(3)7-5-10;2*1-7(2,3,4,5)6;;;;;;;;/h2*4-9H2,1-3H3;;;;;3*1H2;3*1H/q;;2*-1;2*+3;;;;;;/i;;;;;;;;;3*1+1D.
What are the key properties of CID 162293338?
CID 162293338 has a molecular weight of 808.51 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162293338 is sourced from PubChem (CID 162293338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).