cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane

C31H28P2 — CID 23414387

IUPACcyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane
SMILESC1=CC(=P(CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C31H28P2/c1-5-15-27(16-6-1)32(28-17-7-2-8-18-28)25-26-33(31-23-13-14-24-31,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2
InChIKeyPFZHIUTZXSURHZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.09
Rot. Bonds7

About cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane

cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane (PubChem CID 23414387) has the molecular formula C31H28P2 and a molecular weight of 462.51 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane
PubChem CID23414387
Molecular FormulaC31H28P2
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Namecyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane
SMILESC1=CC(=P(CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C31H28P2/c1-5-15-27(16-6-1)32(28-17-7-2-8-18-28)25-26-33(31-23-13-14-24-31,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2
InChIKeyPFZHIUTZXSURHZ-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.09
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

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
CID 13086823
CID 13086823
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
cyclopenta-2,4-dien-1-ylidene-iodo-diphenyl-λ5-phosphane
CID 174339767
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane (CID 23414387) is cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane is C1=CC(=P(CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane?
The InChIKey is PFZHIUTZXSURHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28P2/c1-5-15-27(16-6-1)32(28-17-7-2-8-18-28)25-26-33(31-23-13-14-24-31,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane?
cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane has a molecular weight of 462.51 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane is sourced from PubChem (CID 23414387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).