bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane

C24H21BrNP — CID 12582533

IUPACbromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane
SMILESBrP(Cc1ccccn1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21BrNP/c25-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-26-21/h1-19H,20H2
InChIKeySNDLNEPHRNDPMU-UHFFFAOYSA-N
MW434.32 g/mol
LogP5.42
Rot. Bonds5

About bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane

bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane (PubChem CID 12582533) has the molecular formula C24H21BrNP and a molecular weight of 434.32 g/mol. Its IUPAC name is bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane
PubChem CID12582533
Molecular FormulaC24H21BrNP
Molecular Weight434.32 g/mol
Exact Mass433.06
IUPAC Namebromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane
SMILESBrP(Cc1ccccn1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21BrNP/c25-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-26-21/h1-19H,20H2
InChIKeySNDLNEPHRNDPMU-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.32
LogP ≤ 55.42
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 bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane?
The IUPAC name of bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane (CID 12582533) is bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane.
What is the SMILES notation for bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane?
The canonical SMILES for bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane is BrP(Cc1ccccn1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane?
The InChIKey is SNDLNEPHRNDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrNP/c25-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-26-21/h1-19H,20H2.
What are the key properties of bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane?
bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane has a molecular weight of 434.32 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane is sourced from PubChem (CID 12582533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).