[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide

C57H46NO3P2PdS+ — CID 155981994

IUPAC[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide
SMILESCS(=O)(=O)O.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.C12H9N.CH4O3S.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h1-32H;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2/p+1
InChIKeyUMZSSCWQSUDMCN-UHFFFAOYSA-O
MW993.43 g/mol
LogP12.25
Rot. Bonds8

About [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide

[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide (PubChem CID 155981994) has the molecular formula C57H46NO3P2PdS+ and a molecular weight of 993.43 g/mol. Its IUPAC name is [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide.

Molecular Properties

Compound Name[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide
PubChem CID155981994
Molecular FormulaC57H46NO3P2PdS+
Molecular Weight993.43 g/mol
Exact Mass992.17
IUPAC Name[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide
SMILESCS(=O)(=O)O.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.C12H9N.CH4O3S.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h1-32H;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2/p+1
InChIKeyUMZSSCWQSUDMCN-UHFFFAOYSA-O
XLogP12.25
TPSA78.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.43
LogP ≤ 512.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'-Amino-2-biphenylyl)palladium(1+) methanesulfonate-bis(2-methyl-2-propanyl)(2',4',6'-triisopropyl-2-biphenylyl)phosphine (1:1:1)
CID 90645613
Dicyclohexyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane; (2'-amino-(1,1'-biphenyl)-2-yl)palladio methanesulfonate
CID 117064974
Methanesulfonato[2,2'-bis(diphenylphosphino)-1,1'-binaphthyl](2'-amino-1,1'-biphenyl-2-yl)palladium(II)
CID 169449909
(S)-N-(2'-(Diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl)methanesulfonamide
CID 15504838
Bis(adamantan-1-yl)(butyl)phosphane; (2'-amino-(1,1'-biphenyl)-2-yl)palladio methanesulfonate
CID 117064761
[1-(2-Diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;methanesulfonate;palladium(2+);2-phenylaniline
CID 121237778
Methanesulfonato[1,1'-bis(diphenylphosphino)ferrocene)](2'-amino-1,1'-biphenyl-2-yl)palladium(II)
CID 146014838
Methanesulfonato(2-di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-i-propylbiphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)
CID 172908360
(-)-2-Methylsulfonylamino-2'-Diphenylphosphinyl-1,1'-Binaphthyl
CID 12010732
XPhosPdG3
CID 132274291
Bis(1-adamantyl)-butylphosphanium;methanesulfonate;palladium;(2-phenylphenyl)azanide
CID 138976007
N-[1-[2-(benzyl-bromo-diphenyl-lambda5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]methanesulfonamide
CID 164678447

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
The IUPAC name of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide (CID 155981994) is [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide.
What is the SMILES notation for [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
The canonical SMILES for [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide is CS(=O)(=O)O.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
The InChIKey is UMZSSCWQSUDMCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C44H32P2.C12H9N.CH4O3S.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h1-32H;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2/p+1.
What are the key properties of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide has a molecular weight of 993.43 g/mol, XLogP of 12.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide is sourced from PubChem (CID 155981994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).