dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))

C35H27Cl2N5O17Rh2 — CID 139059914

IUPACdichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))
SMILESCO.ClCCl.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.[Rh+2].[Rh+2].c1ccncc1
InChIInChI=1S/4C7H5NO4.C5H5N.CH2Cl2.CH4O.2Rh/c4*9-7(10)5-1-3-6(4-2-5)8(11)12;1-2-4-6-5-3-1;2-1-3;1-2;;/h4*1-4H,(H,9,10);1-5H;1H2;2H,1H3;;/q;;;;;;;2*+2/p-4
InChIKeyJJFGRYYYBBMZBU-UHFFFAOYSA-J
MW1066.34 g/mol
LogP1.94
Rot. Bonds8

About dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))

dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)) (PubChem CID 139059914) has the molecular formula C35H27Cl2N5O17Rh2 and a molecular weight of 1066.34 g/mol. Its IUPAC name is dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)).

Molecular Properties

Compound Namedichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))
PubChem CID139059914
Molecular FormulaC35H27Cl2N5O17Rh2
Molecular Weight1066.34 g/mol
Exact Mass1064.89
IUPAC Namedichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))
SMILESCO.ClCCl.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.[Rh+2].[Rh+2].c1ccncc1
InChIInChI=1S/4C7H5NO4.C5H5N.CH2Cl2.CH4O.2Rh/c4*9-7(10)5-1-3-6(4-2-5)8(11)12;1-2-4-6-5-3-1;2-1-3;1-2;;/h4*1-4H,(H,9,10);1-5H;1H2;2H,1H3;;/q;;;;;;;2*+2/p-4
InChIKeyJJFGRYYYBBMZBU-UHFFFAOYSA-J
XLogP1.94
TPSA366.20 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))?
The IUPAC name of dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)) (CID 139059914) is dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)).
What is the SMILES notation for dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))?
The canonical SMILES for dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)) is CO.ClCCl.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.[Rh+2].[Rh+2].c1ccncc1.
What is the InChIKey of dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))?
The InChIKey is JJFGRYYYBBMZBU-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5NO4.C5H5N.CH2Cl2.CH4O.2Rh/c4*9-7(10)5-1-3-6(4-2-5)8(11)12;1-2-4-6-5-3-1;2-1-3;1-2;;/h4*1-4H,(H,9,10);1-5H;1H2;2H,1H3;;/q;;;;;;;2*+2/p-4.
What are the key properties of dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+))?
dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)) has a molecular weight of 1066.34 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methanol;tetrakis(4-nitrobenzoate);pyridine;bis(rhodium(2+)) is sourced from PubChem (CID 139059914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).