[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium

C38H34Cl3NP4+2 — CID 122366701

IUPAC[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
SMILESCN(P(Cl)Cl)P(Cl)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H34Cl3NP4/c1-42(44(40)41)43(39)38(45(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34)46(35-26-14-5-15-27-35,36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38H,1H3/q+2
InChIKeyGSVRJSQURYVFBP-UHFFFAOYSA-N
MW734.95 g/mol
LogP10.45
Rot. Bonds11

About [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium

[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium (PubChem CID 122366701) has the molecular formula C38H34Cl3NP4+2 and a molecular weight of 734.95 g/mol. Its IUPAC name is [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
PubChem CID122366701
Molecular FormulaC38H34Cl3NP4+2
Molecular Weight734.95 g/mol
Exact Mass733.07
IUPAC Name[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
SMILESCN(P(Cl)Cl)P(Cl)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H34Cl3NP4/c1-42(44(40)41)43(39)38(45(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34)46(35-26-14-5-15-27-35,36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38H,1H3/q+2
InChIKeyGSVRJSQURYVFBP-UHFFFAOYSA-N
XLogP10.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.95
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
CID 122366708
bis(dimethylamino)-diphenylphosphanium
CID 23415226
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
CID 87069841
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
dimethylamino-dimethyl-phenylphosphanium
CID 23415277
bis(methylsulfanyl)methyl-triphenylphosphanium
CID 3580662
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
1-bromopropyl(triphenyl)phosphanium
CID 22011137
(N-methylanilino)-triphenylphosphanium
CID 2828348
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
dimethylamino-methylsulfanyl-diphenylphosphanium
CID 23418186

Frequently Asked Questions

What is the IUPAC name of [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
The IUPAC name of [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium (CID 122366701) is [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium.
What is the SMILES notation for [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
The canonical SMILES for [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium is CN(P(Cl)Cl)P(Cl)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
The InChIKey is GSVRJSQURYVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34Cl3NP4/c1-42(44(40)41)43(39)38(45(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34)46(35-26-14-5-15-27-35,36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38H,1H3/q+2.
What are the key properties of [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium has a molecular weight of 734.95 g/mol, XLogP of 10.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium is sourced from PubChem (CID 122366701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).