2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)

C110H100N2P6Rh6Se8 — CID 139142832

IUPAC2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)
SMILES[NH3+]CC[NH3+].[Rh+2].[Rh+2].[Rh+2].[Rh+2].[Rh+3].[Rh+3].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.C2H8N2.6Rh.8Se/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1-2-4;;;;;;;;;;;;;;/h6*1-15H;1-4H2;;;;;;;;;;;;;;/q;;;;;;;4*+2;2*+3;8*-2/p+2
InChIKeyZPHTXKOEAQVFAR-UHFFFAOYSA-P
MW2884.98 g/mol
LogP15.08
Rot. Bonds19

About 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)

2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane) (PubChem CID 139142832) has the molecular formula C110H100N2P6Rh6Se8 and a molecular weight of 2884.98 g/mol. Its IUPAC name is 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane).

Molecular Properties

Compound Name2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)
PubChem CID139142832
Molecular FormulaC110H100N2P6Rh6Se8
Molecular Weight2884.98 g/mol
Exact Mass2891.40
IUPAC Name2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)
SMILES[NH3+]CC[NH3+].[Rh+2].[Rh+2].[Rh+2].[Rh+2].[Rh+3].[Rh+3].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.C2H8N2.6Rh.8Se/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1-2-4;;;;;;;;;;;;;;/h6*1-15H;1-4H2;;;;;;;;;;;;;;/q;;;;;;;4*+2;2*+3;8*-2/p+2
InChIKeyZPHTXKOEAQVFAR-UHFFFAOYSA-P
XLogP15.08
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002884.98
LogP ≤ 515.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)?
The IUPAC name of 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane) (CID 139142832) is 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane).
What is the SMILES notation for 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)?
The canonical SMILES for 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane) is [NH3+]CC[NH3+].[Rh+2].[Rh+2].[Rh+2].[Rh+2].[Rh+3].[Rh+3].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)?
The InChIKey is ZPHTXKOEAQVFAR-UHFFFAOYSA-P. The full InChI is InChI=1S/6C18H15P.C2H8N2.6Rh.8Se/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1-2-4;;;;;;;;;;;;;;/h6*1-15H;1-4H2;;;;;;;;;;;;;;/q;;;;;;;4*+2;2*+3;8*-2/p+2.
What are the key properties of 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane)?
2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane) has a molecular weight of 2884.98 g/mol, XLogP of 15.08, 19 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium;tetrakis(rhodium(2+));bis(rhodium(3+));octakis(selenium(2-));hexakis(triphenylphosphane) is sourced from PubChem (CID 139142832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).