2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium

C27H26ClP3+2 — CID 23415328

IUPAC2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium
SMILESClCP1[P+](c2ccccc2)(c2ccccc2)CC[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26ClP3/c28-23-29-30(24-13-5-1-6-14-24,25-15-7-2-8-16-25)21-22-31(29,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H,21-23H2/q+2
InChIKeyIEIKWXBMEYNXBB-UHFFFAOYSA-N
MW478.88 g/mol
LogP6.85
Rot. Bonds5

About 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium

2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium (PubChem CID 23415328) has the molecular formula C27H26ClP3+2 and a molecular weight of 478.88 g/mol. Its IUPAC name is 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium.

Molecular Properties

Compound Name2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium
PubChem CID23415328
Molecular FormulaC27H26ClP3+2
Molecular Weight478.88 g/mol
Exact Mass478.09
IUPAC Name2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium
SMILESClCP1[P+](c2ccccc2)(c2ccccc2)CC[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26ClP3/c28-23-29-30(24-13-5-1-6-14-24,25-15-7-2-8-16-25)21-22-31(29,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H,21-23H2/q+2
InChIKeyIEIKWXBMEYNXBB-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.88
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,1,3,3-tetraphenyltriphosphepane-1,3-diium
CID 23421390
1-hydroxy-1-phenylphospholan-1-ium
CID 173085633
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
chloromethylcyclohexane;triphenylphosphane
CID 87799022
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
9,10,19,20,21,22,23,24-octachloro-3,3,6,6,13,13,16,16-octakis-phenyl-3,6,13,16-tetraphosphoniatricyclo[16.2.2.28,11]tetracosa-1(20),8(24),9,11(23),18,21-hexaene
CID 6333574
1,3-dimethyl-1-phenylphospholan-1-ium
CID 4220919
[2-(diphenylarsanylmethyl)cyclopentyl]methyl-diphenylarsane
CID 152745173
1-benzyl-2,7-bis(chloromethyl)azepane;hydrochloride
CID 11971663
2-cyclopropyl-4-phenylbutanal
CID 83829133
(2S)-2-benzylpyrrolidin-1-ium
CID 7009381

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium?
The IUPAC name of 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium (CID 23415328) is 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium.
What is the SMILES notation for 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium?
The canonical SMILES for 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium is ClCP1[P+](c2ccccc2)(c2ccccc2)CC[P+]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium?
The InChIKey is IEIKWXBMEYNXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClP3/c28-23-29-30(24-13-5-1-6-14-24,25-15-7-2-8-16-25)21-22-31(29,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H,21-23H2/q+2.
What are the key properties of 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium?
2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium has a molecular weight of 478.88 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium is sourced from PubChem (CID 23415328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).