4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium

C24H26P+ — CID 134985357

IUPAC4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
SMILESCCC1C[P+](c2ccccc2)(c2ccccc2)Cc2cc(C)ccc21
InChIInChI=1S/C24H26P/c1-3-20-17-25(22-10-6-4-7-11-22,23-12-8-5-9-13-23)18-21-16-19(2)14-15-24(20)21/h4-16,20H,3,17-18H2,1-2H3/q+1
InChIKeyLJWDOYJFTWCBKE-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.67
Rot. Bonds3

About 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium

4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium (PubChem CID 134985357) has the molecular formula C24H26P+ and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium.

Molecular Properties

Compound Name4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
PubChem CID134985357
Molecular FormulaC24H26P+
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
SMILESCCC1C[P+](c2ccccc2)(c2ccccc2)Cc2cc(C)ccc21
InChIInChI=1S/C24H26P/c1-3-20-17-25(22-10-6-4-7-11-22,23-12-8-5-9-13-23)18-21-16-19(2)14-15-24(20)21/h4-16,20H,3,17-18H2,1-2H3/q+1
InChIKeyLJWDOYJFTWCBKE-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
CID 98533107
4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
CID 134976511
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
CID 105429222
3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
CID 10935558
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687004
3-ethyl-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 63822633
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
1-ethyl-2,3-dihydro-1H-indene
CID 20971
2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622892
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
The IUPAC name of 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium (CID 134985357) is 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium.
What is the SMILES notation for 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
The canonical SMILES for 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium is CCC1C[P+](c2ccccc2)(c2ccccc2)Cc2cc(C)ccc21.
What is the InChIKey of 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
The InChIKey is LJWDOYJFTWCBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26P/c1-3-20-17-25(22-10-6-4-7-11-22,23-12-8-5-9-13-23)18-21-16-19(2)14-15-24(20)21/h4-16,20H,3,17-18H2,1-2H3/q+1.
What are the key properties of 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium has a molecular weight of 345.45 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium is sourced from PubChem (CID 134985357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).