[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride

C26H20Cl10O2P2 — CID 157363375

IUPAC[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride
SMILESClC(Cl)(c1ccccc1)c1ccccc1.ClP(Cl)(Cl)(Cl)Cl.O=C(c1ccccc1)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C13H10Cl2.C13H10O.Cl5P.Cl3OP/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2,3,4)5;1-5(2,3)4/h1-10H;1-10H;;
InChIKeyBIWYWMZKPOWFOE-UHFFFAOYSA-N
MW780.92 g/mol
LogP14.40
Rot. Bonds4

About [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride

[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride (PubChem CID 157363375) has the molecular formula C26H20Cl10O2P2 and a molecular weight of 780.92 g/mol. Its IUPAC name is [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride.

Molecular Properties

Compound Name[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride
PubChem CID157363375
Molecular FormulaC26H20Cl10O2P2
Molecular Weight780.92 g/mol
Exact Mass775.78
IUPAC Name[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride
SMILESClC(Cl)(c1ccccc1)c1ccccc1.ClP(Cl)(Cl)(Cl)Cl.O=C(c1ccccc1)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C13H10Cl2.C13H10O.Cl5P.Cl3OP/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2,3,4)5;1-5(2,3)4/h1-10H;1-10H;;
InChIKeyBIWYWMZKPOWFOE-UHFFFAOYSA-N
XLogP14.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.92
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
4-[dichloro(phenyl)methyl]benzoic acid
CID 57006403
diphenylmethanone
CID 3102
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride?
The IUPAC name of [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride (CID 157363375) is [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride.
What is the SMILES notation for [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride?
The canonical SMILES for [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride is ClC(Cl)(c1ccccc1)c1ccccc1.ClP(Cl)(Cl)(Cl)Cl.O=C(c1ccccc1)c1ccccc1.O=P(Cl)(Cl)Cl.
What is the InChIKey of [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride?
The InChIKey is BIWYWMZKPOWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2.C13H10O.Cl5P.Cl3OP/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2,3,4)5;1-5(2,3)4/h1-10H;1-10H;;.
What are the key properties of [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride?
[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride has a molecular weight of 780.92 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride is sourced from PubChem (CID 157363375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).