diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

C23H27P — CID 10947629

IUPACdiphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC1=C(C)C(CCP(c2ccccc2)c2ccccc2)C(C)=C1C
InChIInChI=1S/C23H27P/c1-17-18(2)20(4)23(19(17)3)15-16-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,23H,15-16H2,1-4H3
InChIKeySOACEOCCYCLKFA-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.81
Rot. Bonds5

About diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (PubChem CID 10947629) has the molecular formula C23H27P and a molecular weight of 334.44 g/mol. Its IUPAC name is diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
PubChem CID10947629
Molecular FormulaC23H27P
Molecular Weight334.44 g/mol
Exact Mass334.19
IUPAC Namediphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC1=C(C)C(CCP(c2ccccc2)c2ccccc2)C(C)=C1C
InChIInChI=1S/C23H27P/c1-17-18(2)20(4)23(19(17)3)15-16-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,23H,15-16H2,1-4H3
InChIKeySOACEOCCYCLKFA-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.81
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

Phosphine, tris(4-methylphenyl)-
CID 13956
Tri-o-tolylphosphine
CID 80271
Ethyldiphenylphosphine
CID 69082
Phosphine, tris(phenylmethyl)-
CID 82101
Methyldiphenylphosphine
CID 73879
Tri-m-tolylphosphine
CID 80362
triphenyl-[(E)-prop-1-enyl]phosphanium
CID 5752015
Diphenyl-o-tolylphosphine
CID 80040
Diphenylpropylphosphine
CID 82100
tert-Butyldiphenylphosphine
CID 80102
Allyldiphenylphosphine
CID 137699
(3-Methylbut-2-enyl)triphenylphosphonium bromide
CID 3083722

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The IUPAC name of diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (CID 10947629) is diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The canonical SMILES for diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is CC1=C(C)C(CCP(c2ccccc2)c2ccccc2)C(C)=C1C.
What is the InChIKey of diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The InChIKey is SOACEOCCYCLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27P/c1-17-18(2)20(4)23(19(17)3)15-16-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,23H,15-16H2,1-4H3.
What are the key properties of diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane has a molecular weight of 334.44 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 10947629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).