[phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane

C19H28Cl6P2 — CID 23122187

IUPAC[phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane
SMILESClC(Cl)(Cl)CCCCCPC(PCCCCCC(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C19H28Cl6P2/c20-18(21,22)12-6-2-8-14-26-17(16-10-4-1-5-11-16)27-15-9-3-7-13-19(23,24)25/h1,4-5,10-11,17,26-27H,2-3,6-9,12-15H2
InChIKeyPTBAGEHSBSJDFZ-UHFFFAOYSA-N
MW531.10 g/mol
LogP9.90
Rot. Bonds13

About [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane

[phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane (PubChem CID 23122187) has the molecular formula C19H28Cl6P2 and a molecular weight of 531.10 g/mol. Its IUPAC name is [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane.

Molecular Properties

Compound Name[phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane
PubChem CID23122187
Molecular FormulaC19H28Cl6P2
Molecular Weight531.10 g/mol
Exact Mass527.98
IUPAC Name[phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane
SMILESClC(Cl)(Cl)CCCCCPC(PCCCCCC(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C19H28Cl6P2/c20-18(21,22)12-6-2-8-14-26-17(16-10-4-1-5-11-16)27-15-9-3-7-13-19(23,24)25/h1,4-5,10-11,17,26-27H,2-3,6-9,12-15H2
InChIKeyPTBAGEHSBSJDFZ-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.10
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium
CID 175888686
dodecyl(1-phenylethyl)phosphane
CID 175060355
bromo(9,9,9-triphenylnonyl)phosphane
CID 139644220
8-(1-phenylpropyl)pentadecan-8-ol
CID 134906373
16,16,16-trichlorohexadecanoic acid
CID 57105888
3-chloro-2-phenylpropanamide
CID 123321549
3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane
CID 173230104
1,1,1,12-tetrachlorododecane
CID 169446882
(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane
CID 140527861
(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
14-(benzenesulfinyl)-2,2-dichlorotetradecanoic acid
CID 10047802
5-hydroxy-2-phenylpentanoic acid
CID 79006638

Frequently Asked Questions

What is the IUPAC name of [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane?
The IUPAC name of [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane (CID 23122187) is [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane.
What is the SMILES notation for [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane?
The canonical SMILES for [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane is ClC(Cl)(Cl)CCCCCPC(PCCCCCC(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane?
The InChIKey is PTBAGEHSBSJDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl6P2/c20-18(21,22)12-6-2-8-14-26-17(16-10-4-1-5-11-16)27-15-9-3-7-13-19(23,24)25/h1,4-5,10-11,17,26-27H,2-3,6-9,12-15H2.
What are the key properties of [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane?
[phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane has a molecular weight of 531.10 g/mol, XLogP of 9.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(6,6,6-trichlorohexylphosphanyl)methyl]-(6,6,6-trichlorohexyl)phosphane is sourced from PubChem (CID 23122187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).