dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine

C44H40Cl2N2P2Ru — CID 11721979

IUPACdichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
SMILESC(=N\[C@H]1CCCC[C@@H]1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
InChIInChI=1S/C44H40N2P2.2ClH.Ru/c1-5-21-37(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;;;/h1-14,17-28,31-34,41-42H,15-16,29-30H2;2*1H;/q;;;+2/p-2/b45-33-,46-34-;;;/t41-,42-;;;/m0.../s1
InChIKeyPOFAOWHLEWYWPG-FANGNJPDSA-L
MW830.74 g/mol
LogP9.43
Rot. Bonds10

About dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine

dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine (PubChem CID 11721979) has the molecular formula C44H40Cl2N2P2Ru and a molecular weight of 830.74 g/mol. Its IUPAC name is dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Namedichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
PubChem CID11721979
Molecular FormulaC44H40Cl2N2P2Ru
Molecular Weight830.74 g/mol
Exact Mass830.11
IUPAC Namedichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
SMILESC(=N\[C@H]1CCCC[C@@H]1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
InChIInChI=1S/C44H40N2P2.2ClH.Ru/c1-5-21-37(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;;;/h1-14,17-28,31-34,41-42H,15-16,29-30H2;2*1H;/q;;;+2/p-2/b45-33-,46-34-;;;/t41-,42-;;;/m0.../s1
InChIKeyPOFAOWHLEWYWPG-FANGNJPDSA-L
XLogP9.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.74
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;iron(2+);dichloride
CID 173187520
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
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
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 dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine?
The IUPAC name of dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine (CID 11721979) is dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine is C(=N\[C@H]1CCCC[C@@H]1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine?
The InChIKey is POFAOWHLEWYWPG-FANGNJPDSA-L. The full InChI is InChI=1S/C44H40N2P2.2ClH.Ru/c1-5-21-37(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;;;/h1-14,17-28,31-34,41-42H,15-16,29-30H2;2*1H;/q;;;+2/p-2/b45-33-,46-34-;;;/t41-,42-;;;/m0.../s1.
What are the key properties of dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine?
dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine has a molecular weight of 830.74 g/mol, XLogP of 9.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 11721979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).