2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone

C28H27ClNOP — CID 140694854

IUPAC2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone
SMILESCN(C)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1CC(=O)c1ccccc1
InChIInChI=1S/C28H27ClNOP/c1-30(2)32(29,25-17-8-4-9-18-25,26-19-10-5-11-20-26)28-21-13-12-16-24(28)22-27(31)23-14-6-3-7-15-23/h3-21H,22H2,1-2H3
InChIKeyWYIXWCLIMNVFDS-UHFFFAOYSA-N
MW459.96 g/mol
LogP5.57
Rot. Bonds7

About 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone

2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone (PubChem CID 140694854) has the molecular formula C28H27ClNOP and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone
PubChem CID140694854
Molecular FormulaC28H27ClNOP
Molecular Weight459.96 g/mol
Exact Mass459.15
IUPAC Name2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone
SMILESCN(C)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1CC(=O)c1ccccc1
InChIInChI=1S/C28H27ClNOP/c1-30(2)32(29,25-17-8-4-9-18-25,26-19-10-5-11-20-26)28-21-13-12-16-24(28)22-27(31)23-14-6-3-7-15-23/h3-21H,22H2,1-2H3
InChIKeyWYIXWCLIMNVFDS-UHFFFAOYSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone
CID 14483149
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
O-phenacyl N,N-dimethylcarbamothioate
CID 88793573
1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
CID 175144459
bromomethane;2-bromo-1-phenylethanone;ethane
CID 90907138
(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one
CID 71481560
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
CID 173152165
CID 173152165
1-phenyl(111C)propan-1-one
CID 11159350
1-(2-phenacylphenyl)ethenolate
CID 134860300
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368

Frequently Asked Questions

What is the IUPAC name of 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone?
The IUPAC name of 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone (CID 140694854) is 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone?
The canonical SMILES for 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone is CN(C)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1CC(=O)c1ccccc1.
What is the InChIKey of 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone?
The InChIKey is WYIXWCLIMNVFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClNOP/c1-30(2)32(29,25-17-8-4-9-18-25,26-19-10-5-11-20-26)28-21-13-12-16-24(28)22-27(31)23-14-6-3-7-15-23/h3-21H,22H2,1-2H3.
What are the key properties of 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone?
2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone has a molecular weight of 459.96 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone is sourced from PubChem (CID 140694854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).