diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium

C25H19O2S+ — CID 158173265

IUPACdiphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium
SMILESC=CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C25H19O2S/c1-2-25(26)27-23-17-18-24(22-16-10-9-15-21(22)23)28(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-18H,1H2/q+1
InChIKeyLCXIZTDPZQJXEK-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.03
Rot. Bonds5

About diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium

diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium (PubChem CID 158173265) has the molecular formula C25H19O2S+ and a molecular weight of 383.49 g/mol. Its IUPAC name is diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium.

Molecular Properties

Compound Namediphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium
PubChem CID158173265
Molecular FormulaC25H19O2S+
Molecular Weight383.49 g/mol
Exact Mass383.11
IUPAC Namediphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium
SMILESC=CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C25H19O2S/c1-2-25(26)27-23-17-18-24(22-16-10-9-15-21(22)23)28(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-18H,1H2/q+1
InChIKeyLCXIZTDPZQJXEK-UHFFFAOYSA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium;trifluoromethanesulfonate
CID 158173264
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
phenyl-[4-[4-[phenyl-[4-(4-prop-2-enoyloxybenzoyl)oxyphenyl]sulfonio]phenyl]phenyl]-[4-(4-prop-2-enoyloxynaphthalene-1-carbonyl)oxyphenyl]sulfanium
CID 149385894
naphthalen-1-yl prop-2-enoate
CID 10192638
phenyl prop-2-enoate;triphenylene
CID 159225619
quinolin-4-yl prop-2-enoate
CID 59502728
[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate
CID 118881544
(2-carbazol-9-ylphenyl) prop-2-enoate
CID 174212207
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205
(2-methoxyphenyl) prop-2-enoate
CID 22987486
[3-(2-phenylethenyl)-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 174679512

Frequently Asked Questions

What is the IUPAC name of diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium?
The IUPAC name of diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium (CID 158173265) is diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium.
What is the SMILES notation for diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium?
The canonical SMILES for diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium is C=CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium?
The InChIKey is LCXIZTDPZQJXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19O2S/c1-2-25(26)27-23-17-18-24(22-16-10-9-15-21(22)23)28(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-18H,1H2/q+1.
What are the key properties of diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium?
diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium has a molecular weight of 383.49 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium is sourced from PubChem (CID 158173265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).