(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one

C26H20O — CID 102369671

IUPAC(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one
SMILESO=C1CC[C@@]2(c3cccc4ccccc34)C1[C@H]2c1ccc2ccccc2c1
InChIInChI=1S/C26H20O/c27-23-14-15-26(22-11-5-9-18-7-3-4-10-21(18)22)24(25(23)26)20-13-12-17-6-1-2-8-19(17)16-20/h1-13,16,24-25H,14-15H2/t24-,25?,26+/m1/s1
InChIKeyMZWSVJCNOSKCOS-ITNFAHLUSA-N
MW348.45 g/mol
LogP6.01
Rot. Bonds2

About (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one

(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one (PubChem CID 102369671) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one
PubChem CID102369671
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one
SMILESO=C1CC[C@@]2(c3cccc4ccccc34)C1[C@H]2c1ccc2ccccc2c1
InChIInChI=1S/C26H20O/c27-23-14-15-26(22-11-5-9-18-7-3-4-10-21(18)22)24(25(23)26)20-13-12-17-6-1-2-8-19(17)16-20/h1-13,16,24-25H,14-15H2/t24-,25?,26+/m1/s1
InChIKeyMZWSVJCNOSKCOS-ITNFAHLUSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

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trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one
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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one (CID 102369671) is (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one is O=C1CC[C@@]2(c3cccc4ccccc34)C1[C@H]2c1ccc2ccccc2c1.
What is the InChIKey of (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one?
The InChIKey is MZWSVJCNOSKCOS-ITNFAHLUSA-N. The full InChI is InChI=1S/C26H20O/c27-23-14-15-26(22-11-5-9-18-7-3-4-10-21(18)22)24(25(23)26)20-13-12-17-6-1-2-8-19(17)16-20/h1-13,16,24-25H,14-15H2/t24-,25?,26+/m1/s1.
What are the key properties of (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one?
(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one has a molecular weight of 348.45 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 102369671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).