5-naphthalen-2-yldibenzothiophen-5-ium

C22H15S+ — CID 59594107

IUPAC5-naphthalen-2-yldibenzothiophen-5-ium
SMILESc1ccc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2c1
InChIInChI=1S/C22H15S/c1-2-8-17-15-18(14-13-16(17)7-1)23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-15H/q+1
InChIKeyRLNYOSGWQHZZLK-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.88
Rot. Bonds1

About 5-naphthalen-2-yldibenzothiophen-5-ium

5-naphthalen-2-yldibenzothiophen-5-ium (PubChem CID 59594107) has the molecular formula C22H15S+ and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-naphthalen-2-yldibenzothiophen-5-ium.

Molecular Properties

Compound Name5-naphthalen-2-yldibenzothiophen-5-ium
PubChem CID59594107
Molecular FormulaC22H15S+
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC Name5-naphthalen-2-yldibenzothiophen-5-ium
SMILESc1ccc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2c1
InChIInChI=1S/C22H15S/c1-2-8-17-15-18(14-13-16(17)7-1)23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-15H/q+1
InChIKeyRLNYOSGWQHZZLK-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-phenylnaphtho[2,3-b][1]benzothiol-5-ium
CID 155647570
5-(3,5-diiodophenyl)dibenzothiophen-5-ium
CID 176607373
anthracene;naphthalene;phenanthrene
CID 158591187
12-phenyl-12-thioniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155647565
5-[4-(2,4,6-triiodophenoxy)phenyl]dibenzothiophen-5-ium
CID 168757603
1-naphthalen-2-ylthiolan-1-ium
CID 21049778
10-phenylthioxanthen-10-ium-9-one
CID 18471230
10-(4-phenoxyphenyl)thioxanthen-10-ium-9-one
CID 21111712
CID 158474185
CID 158474185
11-methylnaphtho[1,2-b][1]benzothiol-11-ium
CID 23656154
5-[4-[(2,4,6-triiodophenyl)methoxy]phenyl]dibenzothiophen-5-ium
CID 166037488
5-[4-(2-fluoro-4-iodophenoxy)phenyl]dibenzothiophen-5-ium
CID 162696190

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yldibenzothiophen-5-ium?
The IUPAC name of 5-naphthalen-2-yldibenzothiophen-5-ium (CID 59594107) is 5-naphthalen-2-yldibenzothiophen-5-ium.
What is the SMILES notation for 5-naphthalen-2-yldibenzothiophen-5-ium?
The canonical SMILES for 5-naphthalen-2-yldibenzothiophen-5-ium is c1ccc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2c1.
What is the InChIKey of 5-naphthalen-2-yldibenzothiophen-5-ium?
The InChIKey is RLNYOSGWQHZZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15S/c1-2-8-17-15-18(14-13-16(17)7-1)23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-15H/q+1.
What are the key properties of 5-naphthalen-2-yldibenzothiophen-5-ium?
5-naphthalen-2-yldibenzothiophen-5-ium has a molecular weight of 311.43 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yldibenzothiophen-5-ium is sourced from PubChem (CID 59594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).