bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate

C92H88Cl12F12N4O2P6Ru2 — CID 139097996

IUPACbis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate
SMILESC(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.C(=N/[C@H]1CCCC[C@@H]1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.ClCCl.ClCCl.Cl[C-](Cl)[Cl+][Cl+][C-](Cl)Cl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Cl-].[Cl-].[Ru+2].[Ru+2]
InChIInChI=1S/2C44H40N2P2.C2Cl6.2CH2Cl2.2ClH.2F6P.2H2O.2Ru/c2*1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40;3-1(4)7-8-2(5)6;2*2-1-3;;;2*1-7(2,3,4,5)6;;;;/h2*1-14,17-28,31-34,41-42H,15-16,29-30H2;;2*1H2;2*1H;;;2*1H2;;/q;;;;;;;2*-1;;;2*+2/p-2/b2*45-33+,46-34+;;;;;;;;;;;/t2*41-,42-;;;;;;;;;;;/m10.........../s1
InChIKeyWSMNJXVKNRZCIJ-QKROWOGFSA-L
MW2323.14 g/mol
LogP20.99
Rot. Bonds21

About bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate

bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate (PubChem CID 139097996) has the molecular formula C92H88Cl12F12N4O2P6Ru2 and a molecular weight of 2323.14 g/mol. Its IUPAC name is bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate.

Molecular Properties

Compound Namebis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate
PubChem CID139097996
Molecular FormulaC92H88Cl12F12N4O2P6Ru2
Molecular Weight2323.14 g/mol
Exact Mass2317.95
IUPAC Namebis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate
SMILESC(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.C(=N/[C@H]1CCCC[C@@H]1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.ClCCl.ClCCl.Cl[C-](Cl)[Cl+][Cl+][C-](Cl)Cl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Cl-].[Cl-].[Ru+2].[Ru+2]
InChIInChI=1S/2C44H40N2P2.C2Cl6.2CH2Cl2.2ClH.2F6P.2H2O.2Ru/c2*1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40;3-1(4)7-8-2(5)6;2*2-1-3;;;2*1-7(2,3,4,5)6;;;;/h2*1-14,17-28,31-34,41-42H,15-16,29-30H2;;2*1H2;2*1H;;;2*1H2;;/q;;;;;;;2*-1;;;2*+2/p-2/b2*45-33+,46-34+;;;;;;;;;;;/t2*41-,42-;;;;;;;;;;;/m10.........../s1
InChIKeyWSMNJXVKNRZCIJ-QKROWOGFSA-L
XLogP20.99
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002323.14
LogP ≤ 520.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate with MolForge

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Related Compounds

1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;iron(2+);dichloride
CID 173187520
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11721979
dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine
CID 158379041
N-cyclohexyl-1-(2-diphenylphosphanylphenyl)methanimine
CID 11280187
N-[(2-diphenylphosphanylphenyl)methyl]-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexan-1-amine
CID 15532952
CID 158462654
CID 158462654
1-(2-phosphanylphenyl)-N-[(1S,2S)-2-[(2-phosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 135032202
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
CID 59052700
disodium;2-[[(1R,2R)-2-[(2-oxido-3-phenylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-phenylphenolate
CID 102085812

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate?
The IUPAC name of bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate (CID 139097996) is bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate.
What is the SMILES notation for bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate?
The canonical SMILES for bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate is C(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.C(=N/[C@H]1CCCC[C@@H]1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.ClCCl.ClCCl.Cl[C-](Cl)[Cl+][Cl+][C-](Cl)Cl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Cl-].[Cl-].[Ru+2].[Ru+2].
What is the InChIKey of bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate?
The InChIKey is WSMNJXVKNRZCIJ-QKROWOGFSA-L. The full InChI is InChI=1S/2C44H40N2P2.C2Cl6.2CH2Cl2.2ClH.2F6P.2H2O.2Ru/c2*1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40;3-1(4)7-8-2(5)6;2*2-1-3;;;2*1-7(2,3,4,5)6;;;;/h2*1-14,17-28,31-34,41-42H,15-16,29-30H2;;2*1H2;2*1H;;;2*1H2;;/q;;;;;;;2*-1;;;2*+2/p-2/b2*45-33+,46-34+;;;;;;;;;;;/t2*41-,42-;;;;;;;;;;;/m10.........../s1.
What are the key properties of bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate?
bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate has a molecular weight of 2323.14 g/mol, XLogP of 20.99, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);dichloromethyl(dichloromethylchloronio)chloranium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;bis(ruthenium(2+));dichloride;dihexafluorophosphate;dihydrate is sourced from PubChem (CID 139097996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).