[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane

C43H36P2 — CID 102270266

IUPAC[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane
SMILESC1=C([C@@H](c2ccccc2)P(c2ccccc2)c2ccccc2)C([C@@H](c2ccccc2)P(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C43H36P2/c1-7-20-34(21-8-1)42(44(36-24-11-3-12-25-36)37-26-13-4-14-27-37)40-32-19-33-41(40)43(35-22-9-2-10-23-35)45(38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-33,42-43H,19H2/t42-,43-/m1/s1
InChIKeyXDKZUKJPSAWMLY-OCQXTOTRSA-N
MW614.71 g/mol
LogP9.99
Rot. Bonds10

About [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane

[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane (PubChem CID 102270266) has the molecular formula C43H36P2 and a molecular weight of 614.71 g/mol. Its IUPAC name is [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane
PubChem CID102270266
Molecular FormulaC43H36P2
Molecular Weight614.71 g/mol
Exact Mass614.23
IUPAC Name[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane
SMILESC1=C([C@@H](c2ccccc2)P(c2ccccc2)c2ccccc2)C([C@@H](c2ccccc2)P(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C43H36P2/c1-7-20-34(21-8-1)42(44(36-24-11-3-12-25-36)37-26-13-4-14-27-37)40-32-19-33-41(40)43(35-22-9-2-10-23-35)45(38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-33,42-43H,19H2/t42-,43-/m1/s1
InChIKeyXDKZUKJPSAWMLY-OCQXTOTRSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 59.99
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

[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane
CID 175581727
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
3-(1-diphenylphosphanylethyl)aniline
CID 151885183
bis[bis(diphenylphosphanyl)methyl]mercury
CID 71335163
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469
2-diphenylphosphanylethane-1,1,2-triol
CID 174746690
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967
3-diphenylphosphanyl-3-phenylpropanoic acid
CID 11759426

Frequently Asked Questions

What is the IUPAC name of [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane?
The IUPAC name of [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane (CID 102270266) is [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane.
What is the SMILES notation for [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane?
The canonical SMILES for [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane is C1=C([C@@H](c2ccccc2)P(c2ccccc2)c2ccccc2)C([C@@H](c2ccccc2)P(c2ccccc2)c2ccccc2)=CC1.
What is the InChIKey of [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane?
The InChIKey is XDKZUKJPSAWMLY-OCQXTOTRSA-N. The full InChI is InChI=1S/C43H36P2/c1-7-20-34(21-8-1)42(44(36-24-11-3-12-25-36)37-26-13-4-14-27-37)40-32-19-33-41(40)43(35-22-9-2-10-23-35)45(38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-33,42-43H,19H2/t42-,43-/m1/s1.
What are the key properties of [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane?
[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane has a molecular weight of 614.71 g/mol, XLogP of 9.99, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane is sourced from PubChem (CID 102270266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).