carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C54H59BCl2F24O3P4Rh2-2 — CID 139106057

IUPACcarbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESCCP(CC)CP(CC)CC.CCP(CC)CP(CC)CC.ClCCl.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[H-].[Rh].[Rh]
InChIInChI=1S/C32H12BF24.2C9H22P2.CH2Cl2.3CO.2Rh.H/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-5-10(6-2)9-11(7-3)8-4;2-1-3;3*1-2;;;/h1-12H;2*5-9H2,1-4H3;1H2;;;;;;/q-1;;;;;;;;;-1
InChIKeyQOFKWUKVPVWPDA-UHFFFAOYSA-N
MW1623.44 g/mol
LogP20.61
Rot. Bonds16

About carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 139106057) has the molecular formula C54H59BCl2F24O3P4Rh2-2 and a molecular weight of 1623.44 g/mol. Its IUPAC name is carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Namecarbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID139106057
Molecular FormulaC54H59BCl2F24O3P4Rh2-2
Molecular Weight1623.44 g/mol
Exact Mass1622.06
IUPAC Namecarbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESCCP(CC)CP(CC)CC.CCP(CC)CP(CC)CC.ClCCl.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[H-].[Rh].[Rh]
InChIInChI=1S/C32H12BF24.2C9H22P2.CH2Cl2.3CO.2Rh.H/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-5-10(6-2)9-11(7-3)8-4;2-1-3;3*1-2;;;/h1-12H;2*5-9H2,1-4H3;1H2;;;;;;/q-1;;;;;;;;;-1
InChIKeyQOFKWUKVPVWPDA-UHFFFAOYSA-N
XLogP20.61
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001623.44
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethylphosphanylethyl(diethyl)phosphane;iron;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139052308
silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 24773254
sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;dihydrate
CID 140670256
dichloromethane;1-ethyl-3-methylbenzimidazol-3-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139177679
cobalt(3+);tris(ethane-1,2-diamine);tris(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);tetradecahydrate
CID 24938695
(4-ethylphenyl)methyl-dimethylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139727479
sodium tetrakis[3-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-5-(trifluoromethyl)phenyl]boranuide
CID 23686146
bis[5-(chloromethoxy)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139729248
1-phenylethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 18783224
tetrakis[3-[1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]-5-(trifluoromethyl)phenyl]boranuide
CID 15648628
1-methoxypyridin-1-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139732149
tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris(4-tert-butylphenyl)sulfanium
CID 139960063

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 139106057) is carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is CCP(CC)CP(CC)CC.CCP(CC)CP(CC)CC.ClCCl.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[H-].[Rh].[Rh].
What is the InChIKey of carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is QOFKWUKVPVWPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF24.2C9H22P2.CH2Cl2.3CO.2Rh.H/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-5-10(6-2)9-11(7-3)8-4;2-1-3;3*1-2;;;/h1-12H;2*5-9H2,1-4H3;1H2;;;;;;/q-1;;;;;;;;;-1.
What are the key properties of carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 1623.44 g/mol, XLogP of 20.61, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;dichloromethane;bis(diethylphosphanylmethyl(diethyl)phosphane);hydride;bis(rhodium);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 139106057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).