dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)

C135H184N4O8P4Pd2S2+4 — CID 158728851

IUPACdicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)
SMILESC.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN(C)c1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.CS(=O)(=O)O.CS(=O)(=O)O.Cc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cccc(OC(C)C)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Nc1ccccc1-c1[c-]cccc1.Nc1ccccc1-c1[c-]cccc1.[Pd+2].[Pd+2]
InChIInChI=1S/2C28H39OP.2C26H36NP.2C12H10N.2CH4O3S.CH4.2Pd/c2*1-21(2)29-26-19-12-13-22(3)28(26)25-18-10-11-20-27(25)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2*1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2*1-5(2,3)4;;;/h2*10-13,18-21,23-24H,4-9,14-17H2,1-3H3;2*9-12,17-22H,3-8,13-16H2,1-2H3;2*1-6,8-9H,13H2;2*1H3,(H,2,3,4);1H4;;/q;;;;2*-1;;;;2*+2/p+2
InChIKeyMRZALVGPLDUAAE-UHFFFAOYSA-P
MW2391.85 g/mol
LogP35.40
Rot. Bonds24

About dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)

dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline) (PubChem CID 158728851) has the molecular formula C135H184N4O8P4Pd2S2+4 and a molecular weight of 2391.85 g/mol. Its IUPAC name is dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline).

Molecular Properties

Compound Namedicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)
PubChem CID158728851
Molecular FormulaC135H184N4O8P4Pd2S2+4
Molecular Weight2391.85 g/mol
Exact Mass2389.06
IUPAC Namedicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)
SMILESC.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN(C)c1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.CS(=O)(=O)O.CS(=O)(=O)O.Cc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cccc(OC(C)C)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Nc1ccccc1-c1[c-]cccc1.Nc1ccccc1-c1[c-]cccc1.[Pd+2].[Pd+2]
InChIInChI=1S/2C28H39OP.2C26H36NP.2C12H10N.2CH4O3S.CH4.2Pd/c2*1-21(2)29-26-19-12-13-22(3)28(26)25-18-10-11-20-27(25)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2*1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2*1-5(2,3)4;;;/h2*10-13,18-21,23-24H,4-9,14-17H2,1-3H3;2*9-12,17-22H,3-8,13-16H2,1-2H3;2*1-6,8-9H,13H2;2*1H3,(H,2,3,4);1H4;;/q;;;;2*-1;;;;2*+2/p+2
InChIKeyMRZALVGPLDUAAE-UHFFFAOYSA-P
XLogP35.40
TPSA185.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002391.85
LogP ≤ 535.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline) with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)?
The IUPAC name of dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline) (CID 158728851) is dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline).
What is the SMILES notation for dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)?
The canonical SMILES for dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline) is C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN(C)c1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.CS(=O)(=O)O.CS(=O)(=O)O.Cc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cccc(OC(C)C)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Nc1ccccc1-c1[c-]cccc1.Nc1ccccc1-c1[c-]cccc1.[Pd+2].[Pd+2].
What is the InChIKey of dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)?
The InChIKey is MRZALVGPLDUAAE-UHFFFAOYSA-P. The full InChI is InChI=1S/2C28H39OP.2C26H36NP.2C12H10N.2CH4O3S.CH4.2Pd/c2*1-21(2)29-26-19-12-13-22(3)28(26)25-18-10-11-20-27(25)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2*1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2*1-5(2,3)4;;;/h2*10-13,18-21,23-24H,4-9,14-17H2,1-3H3;2*9-12,17-22H,3-8,13-16H2,1-2H3;2*1-6,8-9H,13H2;2*1H3,(H,2,3,4);1H4;;/q;;;;2*-1;;;;2*+2/p+2.
What are the key properties of dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)?
dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline) has a molecular weight of 2391.85 g/mol, XLogP of 35.40, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline) is sourced from PubChem (CID 158728851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).