9,9-Bis(4-allyloxyphenyl)fluorene

C31H26O2CAS 142494-81-3430.55 g/mol

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OO
AlkeneEther

Properties

Molecular formula
C31H26O2
Molar mass
430.55 g/mol
Exact mass
430.1933 Da
logP
7.18Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
142494-81-3
SMILES
C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCC=C
InChIKey
OAGAWNXQZROGRJ-UHFFFAOYSA-N
InChI
InChI=1S/C31H26O2/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h3-20H,1-2,21-22H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.65 (dd, J = 7.7, 1.6 Hz, 2H), 7.58 (dd, J = 7.7, 1.6 Hz, 2H), 7.38 (m, J = 7.7, 1.6 Hz, 2H), 7.35 (m, J = 7.7, 1.6 Hz, 2H), 7.29 (d, J = 7.7 Hz, 4H), 6.80 (d, J = 7.7 Hz, 4H), 5.89 (ddt, J = 16.8, 10.8, 6.8 Hz, 2H), 5.24 (m, J = 16.8, 1.4 Hz, 2H), 5.23 (m, J = 10.8, 1.4 Hz, 2H), 4.62 (d, J = 6.8 Hz, 4H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 156.7, 149.4, 142.8, 138.0, 137.5, 127.0, 126.9, 126.0, 125.8, 125.5, 114.9, 113.6, 72.6, 66.9.
[M + H]+
[M + H]+ Calcd for C31H27O2 431.2006
[M + Na]+
[M + Na]+ Calcd for C31H26NaO2 453.1825
[M − H]−
[M − H]− Calcd for C31H25O2 429.1860
Elemental analysis
Anal. Calcd for C31H26O2: C, 86.48; H, 6.09.

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Work with 9,9-Bis(4-allyloxyphenyl)fluorene

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

Bisphenoxyethanolfluorene117344-32-857 % similar 9,9-Bis(4-glycidyloxyphenyl)fluorene47758-37-256 % similar Allyl phenyl ether1746-13-056 % similar ((9H-Fluorene-9,9-diyl)bis((4,1-phenylene)oxy)ethane-2,1-diyl) diprop-2-enoate161182-73-655 % similar Bisphenol A diallyl ether3739-67-155 % similar 9,9-Bis[4-(2-oxiranemethyloxyethyloxy)phenyl]fluorene259881-39-550 % similar 4,4'-(((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))dianiline47823-88-149 % similar 9,9-Diphenylfluorene20302-14-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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