benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium

C36H32O7P+ — CID 70014463

IUPACbenzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium
SMILESCOc1cc(OC)c(C(=O)[P+](C)(C(=O)c2ccccc2)c2c(Oc3ccccc3)cccc2Oc2ccccc2)c(OC)c1
InChIInChI=1S/C36H32O7P/c1-39-28-23-31(40-2)33(32(24-28)41-3)36(38)44(4,35(37)25-15-8-5-9-16-25)34-29(42-26-17-10-6-11-18-26)21-14-22-30(34)43-27-19-12-7-13-20-27/h5-24H,1-4H3/q+1
InChIKeyGAHNFSXHTNZBNA-UHFFFAOYSA-N
MW607.62 g/mol
LogP8.25
Rot. Bonds12

About benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium

benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium (PubChem CID 70014463) has the molecular formula C36H32O7P+ and a molecular weight of 607.62 g/mol. Its IUPAC name is benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium.

Molecular Properties

Compound Namebenzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium
PubChem CID70014463
Molecular FormulaC36H32O7P+
Molecular Weight607.62 g/mol
Exact Mass607.19
IUPAC Namebenzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium
SMILESCOc1cc(OC)c(C(=O)[P+](C)(C(=O)c2ccccc2)c2c(Oc3ccccc3)cccc2Oc2ccccc2)c(OC)c1
InChIInChI=1S/C36H32O7P/c1-39-28-23-31(40-2)33(32(24-28)41-3)36(38)44(4,35(37)25-15-8-5-9-16-25)34-29(42-26-17-10-6-11-18-26)21-14-22-30(34)43-27-19-12-7-13-20-27/h5-24H,1-4H3/q+1
InChIKeyGAHNFSXHTNZBNA-UHFFFAOYSA-N
XLogP8.25
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.62
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium?
The IUPAC name of benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium (CID 70014463) is benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium.
What is the SMILES notation for benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium?
The canonical SMILES for benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium is COc1cc(OC)c(C(=O)[P+](C)(C(=O)c2ccccc2)c2c(Oc3ccccc3)cccc2Oc2ccccc2)c(OC)c1.
What is the InChIKey of benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium?
The InChIKey is GAHNFSXHTNZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O7P/c1-39-28-23-31(40-2)33(32(24-28)41-3)36(38)44(4,35(37)25-15-8-5-9-16-25)34-29(42-26-17-10-6-11-18-26)21-14-22-30(34)43-27-19-12-7-13-20-27/h5-24H,1-4H3/q+1.
What are the key properties of benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium?
benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium has a molecular weight of 607.62 g/mol, XLogP of 8.25, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium is sourced from PubChem (CID 70014463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).