(2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium

C49H38OP+ — CID 175447264

IUPAC(2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium
SMILESCOc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H38OP/c1-50-48-46(39-27-13-4-14-28-39)44(37-23-9-2-10-24-37)45(38-25-11-3-12-26-38)47(40-29-15-5-16-30-40)49(48)51(41-31-17-6-18-32-41,42-33-19-7-20-34-42)43-35-21-8-22-36-43/h2-36H,1H3/q+1
InChIKeyWNGLPINQEZREEG-UHFFFAOYSA-N
MW673.82 g/mol
LogP10.98
Rot. Bonds9

About (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium

(2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium (PubChem CID 175447264) has the molecular formula C49H38OP+ and a molecular weight of 673.82 g/mol. Its IUPAC name is (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium
PubChem CID175447264
Molecular FormulaC49H38OP+
Molecular Weight673.82 g/mol
Exact Mass673.27
IUPAC Name(2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium
SMILESCOc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H38OP/c1-50-48-46(39-27-13-4-14-28-39)44(37-23-9-2-10-24-37)45(38-25-11-3-12-26-38)47(40-29-15-5-16-30-40)49(48)51(41-31-17-6-18-32-41,42-33-19-7-20-34-42)43-35-21-8-22-36-43/h2-36H,1H3/q+1
InChIKeyWNGLPINQEZREEG-UHFFFAOYSA-N
XLogP10.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 510.98
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 (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium?
The IUPAC name of (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium (CID 175447264) is (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium.
What is the SMILES notation for (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium?
The canonical SMILES for (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium is COc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium?
The InChIKey is WNGLPINQEZREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38OP/c1-50-48-46(39-27-13-4-14-28-39)44(37-23-9-2-10-24-37)45(38-25-11-3-12-26-38)47(40-29-15-5-16-30-40)49(48)51(41-31-17-6-18-32-41,42-33-19-7-20-34-42)43-35-21-8-22-36-43/h2-36H,1H3/q+1.
What are the key properties of (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium?
(2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium has a molecular weight of 673.82 g/mol, XLogP of 10.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4,5,6-tetraphenylphenyl)-triphenylphosphanium is sourced from PubChem (CID 175447264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).