(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate

C19H17F6OPS — CID 139668429

IUPAC(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate
SMILESCOc1ccc([SH2+])c(-c2ccccc2)c1-c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C19H16OS.F6P/c1-20-16-12-13-17(21)19(15-10-6-3-7-11-15)18(16)14-8-4-2-5-9-14;1-7(2,3,4,5)6/h2-13,21H,1H3;/q;-1/p+1
InChIKeyILZIRLZBQKWWRV-UHFFFAOYSA-O
MW438.37 g/mol
LogP7.78
Rot. Bonds3

About (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate

(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate (PubChem CID 139668429) has the molecular formula C19H17F6OPS and a molecular weight of 438.37 g/mol. Its IUPAC name is (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate.

Molecular Properties

Compound Name(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate
PubChem CID139668429
Molecular FormulaC19H17F6OPS
Molecular Weight438.37 g/mol
Exact Mass438.06
IUPAC Name(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate
SMILESCOc1ccc([SH2+])c(-c2ccccc2)c1-c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C19H16OS.F6P/c1-20-16-12-13-17(21)19(15-10-6-3-7-11-15)18(16)14-8-4-2-5-9-14;1-7(2,3,4,5)6/h2-13,21H,1H3;/q;-1/p+1
InChIKeyILZIRLZBQKWWRV-UHFFFAOYSA-O
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445
2,4-dimethoxy-3-phenylaniline
CID 165495221
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
(4-methoxy-2,3-diphenylphenyl)sulfanyl trifluoromethanesulfonate
CID 142712288
2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol
CID 67427581
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
(3-methoxy-2-phenylphenyl) trifluoromethanesulfonate
CID 145126504
(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
CID 89463077

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate?
The IUPAC name of (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate (CID 139668429) is (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate.
What is the SMILES notation for (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate?
The canonical SMILES for (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate is COc1ccc([SH2+])c(-c2ccccc2)c1-c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate?
The InChIKey is ILZIRLZBQKWWRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16OS.F6P/c1-20-16-12-13-17(21)19(15-10-6-3-7-11-15)18(16)14-8-4-2-5-9-14;1-7(2,3,4,5)6/h2-13,21H,1H3;/q;-1/p+1.
What are the key properties of (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate?
(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate has a molecular weight of 438.37 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate is sourced from PubChem (CID 139668429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).