bis(cyclopenta-1,3-diene);diphenylphosphane

C22H23P — CID 175484200

IUPACbis(cyclopenta-1,3-diene);diphenylphosphane
SMILESC1=CCC=C1.C1=CCC=C1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.2C5H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1/h1-10,13H;2*1-4H,5H2
InChIKeyHXVFTICZZPBLPS-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.32
Rot. Bonds2

About bis(cyclopenta-1,3-diene);diphenylphosphane

bis(cyclopenta-1,3-diene);diphenylphosphane (PubChem CID 175484200) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);diphenylphosphane.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);diphenylphosphane
PubChem CID175484200
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Namebis(cyclopenta-1,3-diene);diphenylphosphane
SMILESC1=CCC=C1.C1=CCC=C1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.2C5H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1/h1-10,13H;2*1-4H,5H2
InChIKeyHXVFTICZZPBLPS-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.32
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

diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967
benzene-1,4-diol;diphenylphosphane
CID 70153043
diphenylphosphane;phosphorous acid
CID 158763055
diphenylphosphane;iron(3+);methanone
CID 174711189
diphenylphosphane;trichlororuthenium
CID 162065304
dichloromethane;diphenylphosphane
CID 158269242
diphenylphosphane;thiolane
CID 174886019
cyclopenta-1,3-diene;ethane;toluene
CID 90880714
cyanic acid;bis(cyclopenta-1,3-diene);phenol
CID 66924531

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);diphenylphosphane?
The IUPAC name of bis(cyclopenta-1,3-diene);diphenylphosphane (CID 175484200) is bis(cyclopenta-1,3-diene);diphenylphosphane.
What is the SMILES notation for bis(cyclopenta-1,3-diene);diphenylphosphane?
The canonical SMILES for bis(cyclopenta-1,3-diene);diphenylphosphane is C1=CCC=C1.C1=CCC=C1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bis(cyclopenta-1,3-diene);diphenylphosphane?
The InChIKey is HXVFTICZZPBLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.2C5H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1/h1-10,13H;2*1-4H,5H2.
What are the key properties of bis(cyclopenta-1,3-diene);diphenylphosphane?
bis(cyclopenta-1,3-diene);diphenylphosphane has a molecular weight of 318.40 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);diphenylphosphane is sourced from PubChem (CID 175484200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).