(1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one

C25H16O2 — CID 98130797

IUPAC(1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one
SMILESO=C1c2ccccc2[C@]2(c3ccccc3)O[C@@]12c1cccc2ccccc12
InChIInChI=1S/C25H16O2/c26-23-20-14-6-7-15-22(20)24(18-11-2-1-3-12-18)25(23,27-24)21-16-8-10-17-9-4-5-13-19(17)21/h1-16H/t24-,25-/m0/s1
InChIKeyCNCXDAYVPAKAQI-DQEYMECFSA-N
MW348.40 g/mol
LogP5.21
Rot. Bonds2

About (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one

(1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one (PubChem CID 98130797) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one.

Molecular Properties

Compound Name(1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one
PubChem CID98130797
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name(1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one
SMILESO=C1c2ccccc2[C@]2(c3ccccc3)O[C@@]12c1cccc2ccccc12
InChIInChI=1S/C25H16O2/c26-23-20-14-6-7-15-22(20)24(18-11-2-1-3-12-18)25(23,27-24)21-16-8-10-17-9-4-5-13-19(17)21/h1-16H/t24-,25-/m0/s1
InChIKeyCNCXDAYVPAKAQI-DQEYMECFSA-N
XLogP5.21
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1aR,6aS)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one
CID 6581292
2-ethyl-2-naphthalen-1-yl-3,3-diphenyloxirane
CID 134205007
(1aR,6aS)-6-oxo-6a-phenylindeno[1,2-b]oxirene-1a-carboxylic acid
CID 98144684
9,9-dinaphthalen-1-ylfluorene
CID 140680296
1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
CID 14982726
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
2-naphthalen-1-yl-2-phenyladamantane
CID 162698485
3-bromo-3-naphthalen-1-yloxetane
CID 116876457
3-naphthalen-1-yloxetan-3-ol
CID 116873048
3-chloro-3-naphthalen-1-yloxetane
CID 116876568
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
(1S,8S,9R,11R)-1,8,9,10,11-pentakis-phenyl-12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 98509228

Frequently Asked Questions

What is the IUPAC name of (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one?
The IUPAC name of (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one (CID 98130797) is (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one.
What is the SMILES notation for (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one?
The canonical SMILES for (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one is O=C1c2ccccc2[C@]2(c3ccccc3)O[C@@]12c1cccc2ccccc12.
What is the InChIKey of (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one?
The InChIKey is CNCXDAYVPAKAQI-DQEYMECFSA-N. The full InChI is InChI=1S/C25H16O2/c26-23-20-14-6-7-15-22(20)24(18-11-2-1-3-12-18)25(23,27-24)21-16-8-10-17-9-4-5-13-19(17)21/h1-16H/t24-,25-/m0/s1.
What are the key properties of (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one?
(1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one has a molecular weight of 348.40 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,6aR)-6a-naphthalen-1-yl-1a-phenylindeno[1,2-b]oxiren-6-one is sourced from PubChem (CID 98130797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).