bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane

C23H20BrPS — CID 12015147

IUPACbromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane
SMILESBrP(Cc1ccsc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20BrPS/c24-25(18-20-16-17-26-19-20,21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,19H,18H2
InChIKeyMPMIEVUGXBINGH-UHFFFAOYSA-N
MW439.36 g/mol
LogP6.09
Rot. Bonds5

About bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane

bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane (PubChem CID 12015147) has the molecular formula C23H20BrPS and a molecular weight of 439.36 g/mol. Its IUPAC name is bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane
PubChem CID12015147
Molecular FormulaC23H20BrPS
Molecular Weight439.36 g/mol
Exact Mass438.02
IUPAC Namebromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane
SMILESBrP(Cc1ccsc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20BrPS/c24-25(18-20-16-17-26-19-20,21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,19H,18H2
InChIKeyMPMIEVUGXBINGH-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 56.09
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-(thiophen-3-ylmethyl)-λ5-phosphane?
The IUPAC name of bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane (CID 12015147) is bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane.
What is the SMILES notation for bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane?
The canonical SMILES for bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane is BrP(Cc1ccsc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane?
The InChIKey is MPMIEVUGXBINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrPS/c24-25(18-20-16-17-26-19-20,21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,19H,18H2.
What are the key properties of bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane?
bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane has a molecular weight of 439.36 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-(thiophen-3-ylmethyl)-λ5-phosphane is sourced from PubChem (CID 12015147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).