2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene

C28H20O2S2 — CID 141424980

IUPAC2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene
SMILESO=S(c1ccccc1)C1(S(=O)c2cccc3ccccc23)Cc2cccc3cccc1c23
InChIInChI=1S/C28H20O2S2/c29-31(23-14-2-1-3-15-23)28(19-22-13-6-11-21-12-7-17-25(28)27(21)22)32(30)26-18-8-10-20-9-4-5-16-24(20)26/h1-18H,19H2
InChIKeyCXNIDBZTFDTJIX-UHFFFAOYSA-N
MW452.60 g/mol
LogP6.32
Rot. Bonds4

About 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene

2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene (PubChem CID 141424980) has the molecular formula C28H20O2S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene.

Molecular Properties

Compound Name2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene
PubChem CID141424980
Molecular FormulaC28H20O2S2
Molecular Weight452.60 g/mol
Exact Mass452.09
IUPAC Name2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene
SMILESO=S(c1ccccc1)C1(S(=O)c2cccc3ccccc23)Cc2cccc3cccc1c23
InChIInChI=1S/C28H20O2S2/c29-31(23-14-2-1-3-15-23)28(19-22-13-6-11-21-12-7-17-25(28)27(21)22)32(30)26-18-8-10-20-9-4-5-16-24(20)26/h1-18H,19H2
InChIKeyCXNIDBZTFDTJIX-UHFFFAOYSA-N
XLogP6.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfinyl)naphthalene
CID 19876177
1-carbamoyl-2H-acenaphthylene-1-carboxylic acid
CID 174394405
2-naphthalen-1-ylsulfinylacetic acid
CID 121009246
6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine
CID 12555988
[(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene
CID 97289800
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
2,2-dichloro-1,3-dihydrophenalene
CID 174423090
(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide
CID 134875152
(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
CID 144920508
(2,2-dimethyl-1-naphthalen-1-ylcyclopropyl)methanol
CID 116842745
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771
4-naphthalen-1-ylsulfinyl-2,3-dihydrofuran
CID 100921942

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene?
The IUPAC name of 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene (CID 141424980) is 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene.
What is the SMILES notation for 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene?
The canonical SMILES for 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene is O=S(c1ccccc1)C1(S(=O)c2cccc3ccccc23)Cc2cccc3cccc1c23.
What is the InChIKey of 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene?
The InChIKey is CXNIDBZTFDTJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2S2/c29-31(23-14-2-1-3-15-23)28(19-22-13-6-11-21-12-7-17-25(28)27(21)22)32(30)26-18-8-10-20-9-4-5-16-24(20)26/h1-18H,19H2.
What are the key properties of 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene?
2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene has a molecular weight of 452.60 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-2-naphthalen-1-ylsulfinyl-1H-acenaphthylene is sourced from PubChem (CID 141424980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).