[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone

C32H22O4 — CID 10766739

IUPAC[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccc([C@@H]2O[C@H]2C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H22O4/c33-27(25-15-9-19-5-1-3-7-23(19)17-25)31-29(35-31)21-11-13-22(14-12-21)30-32(36-30)28(34)26-16-10-20-6-2-4-8-24(20)18-26/h1-18,29-32H/t29-,30-,31-,32-/m0/s1
InChIKeyCITFSISDHWCHAF-YDPTYEFTSA-N
MW470.52 g/mol
LogP6.64
Rot. Bonds6

About [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone

[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone (PubChem CID 10766739) has the molecular formula C32H22O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
PubChem CID10766739
Molecular FormulaC32H22O4
Molecular Weight470.52 g/mol
Exact Mass470.15
IUPAC Name[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccc([C@@H]2O[C@H]2C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H22O4/c33-27(25-15-9-19-5-1-3-7-23(19)17-25)31-29(35-31)21-11-13-22(14-12-21)30-32(36-30)28(34)26-16-10-20-6-2-4-8-24(20)18-26/h1-18,29-32H/t29-,30-,31-,32-/m0/s1
InChIKeyCITFSISDHWCHAF-YDPTYEFTSA-N
XLogP6.64
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 10355976
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
(4-methylphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 159142458
(4-methylphenyl)-[(2R,3R)-3-(4-methylphenyl)oxiran-2-yl]methanone
CID 135933564
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
(4-bromophenyl)-(3-phenyloxiran-2-yl)methanone
CID 12665544
[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
[(2R,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-(4-methylphenyl)methanone
CID 2421215
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
phenyl-[(2S,3R)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanone
CID 16753146
naphthalene-2-carboxylic acid
CID 175967775

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone (CID 10766739) is [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccc([C@@H]2O[C@H]2C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone?
The InChIKey is CITFSISDHWCHAF-YDPTYEFTSA-N. The full InChI is InChI=1S/C32H22O4/c33-27(25-15-9-19-5-1-3-7-23(19)17-25)31-29(35-31)21-11-13-22(14-12-21)30-32(36-30)28(34)26-16-10-20-6-2-4-8-24(20)18-26/h1-18,29-32H/t29-,30-,31-,32-/m0/s1.
What are the key properties of [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone?
[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone has a molecular weight of 470.52 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 10766739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).