(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane

C23H19P — CID 122378027

IUPAC(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane
SMILESC1=CCC(c2ccc(P(c3ccccc3)c3ccccc3)cc2)=C1
InChIInChI=1S/C23H19P/c1-3-11-21(12-4-1)24(22-13-5-2-6-14-22)23-17-15-20(16-18-23)19-9-7-8-10-19/h1-9,11-18H,10H2
InChIKeyUVJRAOZEFNVIAC-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.79
Rot. Bonds4

About (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane

(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane (PubChem CID 122378027) has the molecular formula C23H19P and a molecular weight of 326.38 g/mol. Its IUPAC name is (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane.

Molecular Properties

Compound Name(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane
PubChem CID122378027
Molecular FormulaC23H19P
Molecular Weight326.38 g/mol
Exact Mass326.12
IUPAC Name(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane
SMILESC1=CCC(c2ccc(P(c3ccccc3)c3ccccc3)cc2)=C1
InChIInChI=1S/C23H19P/c1-3-11-21(12-4-1)24(22-13-5-2-6-14-22)23-17-15-20(16-18-23)19-9-7-8-10-19/h1-9,11-18H,10H2
InChIKeyUVJRAOZEFNVIAC-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.79
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

1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
1-cyclopenta-1,3-dien-1-yl-4-ethynylbenzene
CID 101449090
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619

Frequently Asked Questions

What is the IUPAC name of (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane?
The IUPAC name of (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane (CID 122378027) is (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane.
What is the SMILES notation for (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane?
The canonical SMILES for (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane is C1=CCC(c2ccc(P(c3ccccc3)c3ccccc3)cc2)=C1.
What is the InChIKey of (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane?
The InChIKey is UVJRAOZEFNVIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19P/c1-3-11-21(12-4-1)24(22-13-5-2-6-14-22)23-17-15-20(16-18-23)19-9-7-8-10-19/h1-9,11-18H,10H2.
What are the key properties of (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane?
(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane has a molecular weight of 326.38 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane is sourced from PubChem (CID 122378027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).