tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide

C45H68F8N9Rh2-9 — CID 5246396

IUPACtris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide
SMILESFC1CCCC(F)C1[N-]C1=CC=CC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.[C-]#N.[Rh].[Rh]
InChIInChI=1S/3C11H18F2N2.C11H14F2N2.CN.2Rh/c4*12-8-4-3-5-9(13)11(8)15-10-6-1-2-7-14-10;1-2;;/h3*8-11H,1-7H2;1-2,6,8-9,11H,3-5,7H2;;;/q4*-2;-1;;
InChIKeyVUCIYYUEXYWKKC-UHFFFAOYSA-N
MW1092.90 g/mol
LogP13.88
Rot. Bonds8

About tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide

tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide (PubChem CID 5246396) has the molecular formula C45H68F8N9Rh2-9 and a molecular weight of 1092.90 g/mol. Its IUPAC name is tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide.

Molecular Properties

Compound Nametris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide
PubChem CID5246396
Molecular FormulaC45H68F8N9Rh2-9
Molecular Weight1092.90 g/mol
Exact Mass1092.36
IUPAC Nametris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide
SMILESFC1CCCC(F)C1[N-]C1=CC=CC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.[C-]#N.[Rh].[Rh]
InChIInChI=1S/3C11H18F2N2.C11H14F2N2.CN.2Rh/c4*12-8-4-3-5-9(13)11(8)15-10-6-1-2-7-14-10;1-2;;/h3*8-11H,1-7H2;1-2,6,8-9,11H,3-5,7H2;;;/q4*-2;-1;;
InChIKeyVUCIYYUEXYWKKC-UHFFFAOYSA-N
XLogP13.88
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.90
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide with MolForge

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Related Compounds

dicopper;(1-hydroxypiperidin-2-yl)-piperidin-1-id-2-ylazanide;(1-hydroxy-2H-pyridin-6-yl)-piperidin-1-id-2-ylazanide;bis(2,2,2-trifluoroacetic acid)
CID 5251834
6-piperidin-1-id-2-yl-2H-pyridin-1-ide;tetrabromorhenium
CID 5251027
cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate
CID 5247092
dioxidanium;di(piperidin-1-id-2-yl)-(2H-pyridin-1-id-6-yl)methanol;bis(terbium(3+));tetrakis(trifluoromethanesulfonic acid);tri(piperidin-1-id-2-yl)methanol
CID 5252116
chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
CID 5242366
bis(dichloromanganese);N'-(3-hydroxyiminobutan-2-ylideneamino)piperidin-1-ide-2-carboximidamide;N'-(3-hydroxyiminobutan-2-ylideneamino)-2H-pyridin-1-ide-6-carboximidamide
CID 135439303
copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
CID 5257754
8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt
CID 5255322
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
CID 11033935
magnesium;2-methylpiperidin-1-ide;chloride
CID 140709501
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625

Frequently Asked Questions

What is the IUPAC name of tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide?
The IUPAC name of tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide (CID 5246396) is tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide.
What is the SMILES notation for tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide?
The canonical SMILES for tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide is FC1CCCC(F)C1[N-]C1=CC=CC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.FC1CCCC(F)C1[N-]C1CCCC[N-]1.[C-]#N.[Rh].[Rh].
What is the InChIKey of tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide?
The InChIKey is VUCIYYUEXYWKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H18F2N2.C11H14F2N2.CN.2Rh/c4*12-8-4-3-5-9(13)11(8)15-10-6-1-2-7-14-10;1-2;;/h3*8-11H,1-7H2;1-2,6,8-9,11H,3-5,7H2;;;/q4*-2;-1;;.
What are the key properties of tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide?
tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide has a molecular weight of 1092.90 g/mol, XLogP of 13.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide is sourced from PubChem (CID 5246396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).