chempirical

3,3-Diphenyl-3H-naphtho[2,1-b]pyran

C25H18OCAS 4222-20-2334.42 g/mol

Open in Covalent MOL file
O
AlkeneEther

Properties

Molecular formula
C25H18O
Molar mass
334.42 g/mol
Exact mass
334.1358 Da
Melting point
160–161 °C
logP
6.19Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Environmental Hazard (GHS09)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
4222-20-2
SMILES
C1=CC(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIKey
UBNNJVRNPJVYBU-UHFFFAOYSA-N
InChI
InChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
  • 2,2-Diphenyl-5,6-benzo(2H)chromene
  • Variacrol yellow L
  • D 3197
  • Photopia AQ ink yellow
  • 3,3-Diphenylbenzo[f]chromene

Work with 3,3-Diphenyl-3H-naphtho[2,1-b]pyran

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxy-1-naphthaldehyde5392-12-139 % similar (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-736 % similar (S)-BINOL bis(triflate)128544-05-836 % similar 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl128575-34-836 % similar 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-036 % similar 2,2'-Dimethoxy-1,1'-binaphthyl35294-28-134 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-834 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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