azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride

C33H34Cl2NP — CID 174975992

IUPACazane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride
SMILESCc1c(Cc2ccccc2)ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1C.Cl.N.[Cl-]
InChIInChI=1S/C33H30P.2ClH.H3N/c1-26-27(2)33(24-23-29(26)25-28-15-7-3-8-16-28)34(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32;;;/h3-24H,25H2,1-2H3;2*1H;1H3/q+1;;;/p-1
InChIKeyFBYMOWHAFKXSJG-UHFFFAOYSA-M
MW546.52 g/mol
LogP4.10
Rot. Bonds6

About azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride

azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride (PubChem CID 174975992) has the molecular formula C33H34Cl2NP and a molecular weight of 546.52 g/mol. Its IUPAC name is azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride
PubChem CID174975992
Molecular FormulaC33H34Cl2NP
Molecular Weight546.52 g/mol
Exact Mass545.18
IUPAC Nameazane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride
SMILESCc1c(Cc2ccccc2)ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1C.Cl.N.[Cl-]
InChIInChI=1S/C33H30P.2ClH.H3N/c1-26-27(2)33(24-23-29(26)25-28-15-7-3-8-16-28)34(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32;;;/h3-24H,25H2,1-2H3;2*1H;1H3/q+1;;;/p-1
InChIKeyFBYMOWHAFKXSJG-UHFFFAOYSA-M
XLogP4.10
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium
CID 174975993
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phenyl(113C)methylbenzene
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4-benzyl-2-bromo-3-methylpyridine
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(3-amino-4-benzyl-2-methylphenyl)methanol
CID 70423661
benzylbenzene;ethane;methoxymethane
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1,4-dibenzylbenzene;ethane
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1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
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Frequently Asked Questions

What is the IUPAC name of azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride?
The IUPAC name of azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride (CID 174975992) is azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride.
What is the SMILES notation for azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride?
The canonical SMILES for azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride is Cc1c(Cc2ccccc2)ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1C.Cl.N.[Cl-].
What is the InChIKey of azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride?
The InChIKey is FBYMOWHAFKXSJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H30P.2ClH.H3N/c1-26-27(2)33(24-23-29(26)25-28-15-7-3-8-16-28)34(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32;;;/h3-24H,25H2,1-2H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride?
azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride has a molecular weight of 546.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride is sourced from PubChem (CID 174975992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).