Spiro(9H-fluorene-9,9'-(9H)xanthene)-3',6'-diol

C₂₅H₁₆O₃CAS 4081-00-9364.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₅H₁₆O₃
Molar mass: 364.40 g/mol
Exact mass: 364.1099 Da
logP: 5.57Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

4081-00-9

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

InChIKey

ZTQUBBFVYUHQRC-UHFFFAOYSA-N

InChI

InChI=1S/C25H16O3/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,26-27H

Weigh it out

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Names and synonyms

1 names

Spiro[9H-fluorene-9,9'-[9H]xanthene]-3',6'-diol

Work with Spiro(9H-fluorene-9,9'-(9H)xanthene)-3',6'-diol

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

3-Bromospiro[fluorene-9,9'-xanthene]1609484-28-758 % similar 2'-Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene]1477458-14-254 % similar 2-Bromospiro[fluorene-9,9'-xanthene]899422-06-154 % similar 9,9′-Bis(4-hydroxyphenyl)fluorene3236-71-353 % similar 6,6′-(9H-Fluoren-9-ylidene)bis[2-naphthalenol]934557-66-153 % similar Fluorescein2321-07-550 % similar 2,7-Bibromospiro[fluorene-9,9'-xanthene]198142-65-349 % similar 9,9'-Spirobi(9H-fluorene)159-66-048 % similar

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

Elsewhere

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