triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium

C28H23NPS+ — CID 23143294

IUPACtriphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
SMILESc1ccc(-c2csc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H23NPS/c1-5-13-23(14-6-1)27-22-31-28(29-27)21-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2/q+1
InChIKeyVODZKVTVJCCAEW-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.30
Rot. Bonds6

About triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium

triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium (PubChem CID 23143294) has the molecular formula C28H23NPS+ and a molecular weight of 436.54 g/mol. Its IUPAC name is triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
PubChem CID23143294
Molecular FormulaC28H23NPS+
Molecular Weight436.54 g/mol
Exact Mass436.13
IUPAC Nametriphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
SMILESc1ccc(-c2csc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H23NPS/c1-5-13-23(14-6-1)27-22-31-28(29-27)21-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2/q+1
InChIKeyVODZKVTVJCCAEW-UHFFFAOYSA-N
XLogP6.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79820051
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium?
The IUPAC name of triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium (CID 23143294) is triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium.
What is the SMILES notation for triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium?
The canonical SMILES for triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium is c1ccc(-c2csc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium?
The InChIKey is VODZKVTVJCCAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NPS/c1-5-13-23(14-6-1)27-22-31-28(29-27)21-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2/q+1.
What are the key properties of triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium?
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium has a molecular weight of 436.54 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium is sourced from PubChem (CID 23143294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).