diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane

C23H24NP — CID 175581727

IUPACdiphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane
SMILESc1ccc(C(N2CCCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24NP/c1-4-12-20(13-5-1)23(24-18-10-11-19-24)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,10-11,18-19H2
InChIKeyMIYMZUCJKSDQOC-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.91
Rot. Bonds5

About diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane

diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane (PubChem CID 175581727) has the molecular formula C23H24NP and a molecular weight of 345.43 g/mol. Its IUPAC name is diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane
PubChem CID175581727
Molecular FormulaC23H24NP
Molecular Weight345.43 g/mol
Exact Mass345.16
IUPAC Namediphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane
SMILESc1ccc(C(N2CCCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24NP/c1-4-12-20(13-5-1)23(24-18-10-11-19-24)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,10-11,18-19H2
InChIKeyMIYMZUCJKSDQOC-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane?
The IUPAC name of diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane (CID 175581727) is diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane.
What is the SMILES notation for diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane?
The canonical SMILES for diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane is c1ccc(C(N2CCCC2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane?
The InChIKey is MIYMZUCJKSDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NP/c1-4-12-20(13-5-1)23(24-18-10-11-19-24)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,10-11,18-19H2.
What are the key properties of diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane?
diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane has a molecular weight of 345.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane is sourced from PubChem (CID 175581727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).