[triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate

C27H21ClNO4PS — CID 13077843

IUPAC[triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C27H21ClNO4PS/c30-28(31,32)33-34(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-35-27(29-26)22-13-5-1-6-14-22/h1-21H
InChIKeyTZAIQXDRPFUYGQ-UHFFFAOYSA-N
MW521.96 g/mol
LogP1.79
Rot. Bonds7

About [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate

[triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate (PubChem CID 13077843) has the molecular formula C27H21ClNO4PS and a molecular weight of 521.96 g/mol. Its IUPAC name is [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate.

Molecular Properties

Compound Name[triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate
PubChem CID13077843
Molecular FormulaC27H21ClNO4PS
Molecular Weight521.96 g/mol
Exact Mass521.06
IUPAC Name[triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C27H21ClNO4PS/c30-28(31,32)33-34(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-35-27(29-26)22-13-5-1-6-14-22/h1-21H
InChIKeyTZAIQXDRPFUYGQ-UHFFFAOYSA-N
XLogP1.79
TPSA91.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.96
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate?
The IUPAC name of [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate (CID 13077843) is [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate.
What is the SMILES notation for [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate?
The canonical SMILES for [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate is [O-][Cl+3]([O-])([O-])OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1csc(-c2ccccc2)n1.
What is the InChIKey of [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate?
The InChIKey is TZAIQXDRPFUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClNO4PS/c30-28(31,32)33-34(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-35-27(29-26)22-13-5-1-6-14-22/h1-21H.
What are the key properties of [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate?
[triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate has a molecular weight of 521.96 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [triphenyl-(2-phenyl-1,3-thiazol-4-yl)-lambda5-phosphanyl] perchlorate is sourced from PubChem (CID 13077843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).