3,4-dimethyl-2,5,6-triphenylphosphinine

C25H21P — CID 102048135

IUPAC3,4-dimethyl-2,5,6-triphenylphosphinine
SMILESCc1c(-c2ccccc2)pc(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C25H21P/c1-18-19(2)24(21-14-8-4-9-15-21)26-25(22-16-10-5-11-17-22)23(18)20-12-6-3-7-13-20/h3-17H,1-2H3
InChIKeyRYBSLXBYHXEGGO-UHFFFAOYSA-N
MW352.42 g/mol
LogP7.88
Rot. Bonds3

About 3,4-dimethyl-2,5,6-triphenylphosphinine

3,4-dimethyl-2,5,6-triphenylphosphinine (PubChem CID 102048135) has the molecular formula C25H21P and a molecular weight of 352.42 g/mol. Its IUPAC name is 3,4-dimethyl-2,5,6-triphenylphosphinine.

Molecular Properties

Compound Name3,4-dimethyl-2,5,6-triphenylphosphinine
PubChem CID102048135
Molecular FormulaC25H21P
Molecular Weight352.42 g/mol
Exact Mass352.14
IUPAC Name3,4-dimethyl-2,5,6-triphenylphosphinine
SMILESCc1c(-c2ccccc2)pc(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C25H21P/c1-18-19(2)24(21-14-8-4-9-15-21)26-25(22-16-10-5-11-17-22)23(18)20-12-6-3-7-13-20/h3-17H,1-2H3
InChIKeyRYBSLXBYHXEGGO-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,5,6-pentakis-phenylphosphinine
CID 12931023
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
2,3,5,6-tetramethyl-4-phenylpyrylium
CID 23254471
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
2-ethyl-3,4,5-trimethyl-6-phenylbenzenethiol
CID 140644848
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane
CID 88962714
1,1'-biphenyl;hydroiodide
CID 66586334

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5,6-triphenylphosphinine?
The IUPAC name of 3,4-dimethyl-2,5,6-triphenylphosphinine (CID 102048135) is 3,4-dimethyl-2,5,6-triphenylphosphinine.
What is the SMILES notation for 3,4-dimethyl-2,5,6-triphenylphosphinine?
The canonical SMILES for 3,4-dimethyl-2,5,6-triphenylphosphinine is Cc1c(-c2ccccc2)pc(-c2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of 3,4-dimethyl-2,5,6-triphenylphosphinine?
The InChIKey is RYBSLXBYHXEGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21P/c1-18-19(2)24(21-14-8-4-9-15-21)26-25(22-16-10-5-11-17-22)23(18)20-12-6-3-7-13-20/h3-17H,1-2H3.
What are the key properties of 3,4-dimethyl-2,5,6-triphenylphosphinine?
3,4-dimethyl-2,5,6-triphenylphosphinine has a molecular weight of 352.42 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5,6-triphenylphosphinine is sourced from PubChem (CID 102048135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).