2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride

C64H64ClP4+ — CID 54604618

IUPAC2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride
SMILESCc1c(C)c(C[P+](CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c(C)c1C[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C64H64P4.ClH/c1-51-52(2)64(50-68(61-41-25-11-26-42-61,62-43-27-12-28-44-62)48-46-66(57-33-17-7-18-34-57)58-35-19-8-20-36-58)54(4)53(3)63(51)49-67(59-37-21-9-22-38-59,60-39-23-10-24-40-60)47-45-65(55-29-13-5-14-30-55)56-31-15-6-16-32-56;/h5-44H,45-50H2,1-4H3;1H/q+2;/p-1
InChIKeyYGVNGHGWAUFOCK-UHFFFAOYSA-M
MW992.57 g/mol
LogP10.53
Rot. Bonds18

About 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride

2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride (PubChem CID 54604618) has the molecular formula C64H64ClP4+ and a molecular weight of 992.57 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride.

Molecular Properties

Compound Name2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride
PubChem CID54604618
Molecular FormulaC64H64ClP4+
Molecular Weight992.57 g/mol
Exact Mass991.36
IUPAC Name2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride
SMILESCc1c(C)c(C[P+](CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c(C)c1C[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C64H64P4.ClH/c1-51-52(2)64(50-68(61-41-25-11-26-42-61,62-43-27-12-28-44-62)48-46-66(57-33-17-7-18-34-57)58-35-19-8-20-36-58)54(4)53(3)63(51)49-67(59-37-21-9-22-38-59,60-39-23-10-24-40-60)47-45-65(55-29-13-5-14-30-55)56-31-15-6-16-32-56;/h5-44H,45-50H2,1-4H3;1H/q+2;/p-1
InChIKeyYGVNGHGWAUFOCK-UHFFFAOYSA-M
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.57
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium
CID 102474793
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium
CID 58362009
diphenyl(2-trimethylstannylethyl)phosphane
CID 13153746
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
diphenyl(dipropyl)phosphanium chloride
CID 69307646
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
4-methylpentyl-(4-methylphenyl)-phenylphosphane
CID 56983506
14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
CID 88731911
CID 10930139
CID 10930139
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride?
The IUPAC name of 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride (CID 54604618) is 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride.
What is the SMILES notation for 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride?
The canonical SMILES for 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride is Cc1c(C)c(C[P+](CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c(C)c1C[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride?
The InChIKey is YGVNGHGWAUFOCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C64H64P4.ClH/c1-51-52(2)64(50-68(61-41-25-11-26-42-61,62-43-27-12-28-44-62)48-46-66(57-33-17-7-18-34-57)58-35-19-8-20-36-58)54(4)53(3)63(51)49-67(59-37-21-9-22-38-59,60-39-23-10-24-40-60)47-45-65(55-29-13-5-14-30-55)56-31-15-6-16-32-56;/h5-44H,45-50H2,1-4H3;1H/q+2;/p-1.
What are the key properties of 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride?
2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride has a molecular weight of 992.57 g/mol, XLogP of 10.53, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride is sourced from PubChem (CID 54604618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).