triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate

C27H21ClNO4PS — CID 71413860

IUPACtriphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)cc1
InChIInChI=1S/C27H21NPS.ClHO4/c1-5-13-22(14-6-1)27-28-26(21-30-27)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1
InChIKeyBYSWKWQUZGYDTL-UHFFFAOYSA-M
MW521.96 g/mol
LogP0.67
Rot. Bonds5

About triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate

triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate (PubChem CID 71413860) 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)phosphanium perchlorate.

Molecular Properties

Compound Nametriphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate
PubChem CID71413860
Molecular FormulaC27H21ClNO4PS
Molecular Weight521.96 g/mol
Exact Mass521.06
IUPAC Nametriphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)cc1
InChIInChI=1S/C27H21NPS.ClHO4/c1-5-13-22(14-6-1)27-28-26(21-30-27)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1
InChIKeyBYSWKWQUZGYDTL-UHFFFAOYSA-M
XLogP0.67
TPSA105.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.96
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1,3-thiazol-4-ol
CID 568728
4-(difluoromethyl)-2-phenyl-1,3-thiazole
CID 91615128
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(5-chloro-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium tetrafluoroborate
CID 45046563
4-(difluoromethoxy)-2-phenyl-1,3-thiazole
CID 91278052
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole
CID 929608

Frequently Asked Questions

What is the IUPAC name of triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate?
The IUPAC name of triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate (CID 71413860) is triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate.
What is the SMILES notation for triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate?
The canonical SMILES for triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)cc1.
What is the InChIKey of triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate?
The InChIKey is BYSWKWQUZGYDTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H21NPS.ClHO4/c1-5-13-22(14-6-1)27-28-26(21-30-27)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate?
triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium perchlorate has a molecular weight of 521.96 g/mol, XLogP of 0.67, 5 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)phosphanium perchlorate is sourced from PubChem (CID 71413860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).