2,3,6-triphenyl-5-phosphanylphenol;hydrobromide

C24H20BrOP — CID 173058074

IUPAC2,3,6-triphenyl-5-phosphanylphenol;hydrobromide
SMILESBr.Oc1c(-c2ccccc2)c(P)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H19OP.BrH/c25-24-22(18-12-6-2-7-13-18)20(17-10-4-1-5-11-17)16-21(26)23(24)19-14-8-3-9-15-19;/h1-16,25H,26H2;1H
InChIKeyGJGVVHVZWUTQFP-UHFFFAOYSA-N
MW435.30 g/mol
LogP6.47
Rot. Bonds3

About 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide

2,3,6-triphenyl-5-phosphanylphenol;hydrobromide (PubChem CID 173058074) has the molecular formula C24H20BrOP and a molecular weight of 435.30 g/mol. Its IUPAC name is 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide.

Molecular Properties

Compound Name2,3,6-triphenyl-5-phosphanylphenol;hydrobromide
PubChem CID173058074
Molecular FormulaC24H20BrOP
Molecular Weight435.30 g/mol
Exact Mass434.04
IUPAC Name2,3,6-triphenyl-5-phosphanylphenol;hydrobromide
SMILESBr.Oc1c(-c2ccccc2)c(P)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H19OP.BrH/c25-24-22(18-12-6-2-7-13-18)20(17-10-4-1-5-11-17)16-21(26)23(24)19-14-8-3-9-15-19;/h1-16,25H,26H2;1H
InChIKeyGJGVVHVZWUTQFP-UHFFFAOYSA-N
XLogP6.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.30
LogP ≤ 56.47
H-Bond Donors ≤ 51
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 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide?
The IUPAC name of 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide (CID 173058074) is 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide.
What is the SMILES notation for 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide?
The canonical SMILES for 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide is Br.Oc1c(-c2ccccc2)c(P)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide?
The InChIKey is GJGVVHVZWUTQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19OP.BrH/c25-24-22(18-12-6-2-7-13-18)20(17-10-4-1-5-11-17)16-21(26)23(24)19-14-8-3-9-15-19;/h1-16,25H,26H2;1H.
What are the key properties of 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide?
2,3,6-triphenyl-5-phosphanylphenol;hydrobromide has a molecular weight of 435.30 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenyl-5-phosphanylphenol;hydrobromide is sourced from PubChem (CID 173058074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).