9,9'-spirobi[fluorene]-1,1'-diol

C25H16O2 — CID 11198850

IUPAC9,9'-spirobi[fluorene]-1,1'-diol
SMILESOc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2cccc(O)c21
InChIInChI=1S/C25H16O2/c26-21-13-5-9-17-15-7-1-3-11-19(15)25(23(17)21)20-12-4-2-8-16(20)18-10-6-14-22(27)24(18)25/h1-14,26-27H
InChIKeyKYXSIDNCLMKKDF-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.44
Rot. Bonds

About 9,9'-spirobi[fluorene]-1,1'-diol

9,9'-spirobi[fluorene]-1,1'-diol (PubChem CID 11198850) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-1,1'-diol.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-1,1'-diol
PubChem CID11198850
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name9,9'-spirobi[fluorene]-1,1'-diol
SMILESOc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2cccc(O)c21
InChIInChI=1S/C25H16O2/c26-21-13-5-9-17-15-7-1-3-11-19(15)25(23(17)21)20-12-4-2-8-16(20)18-10-6-14-22(27)24(18)25/h1-14,26-27H
InChIKeyKYXSIDNCLMKKDF-UHFFFAOYSA-N
XLogP5.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]-1,1'-diol?
The IUPAC name of 9,9'-spirobi[fluorene]-1,1'-diol (CID 11198850) is 9,9'-spirobi[fluorene]-1,1'-diol.
What is the SMILES notation for 9,9'-spirobi[fluorene]-1,1'-diol?
The canonical SMILES for 9,9'-spirobi[fluorene]-1,1'-diol is Oc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2cccc(O)c21.
What is the InChIKey of 9,9'-spirobi[fluorene]-1,1'-diol?
The InChIKey is KYXSIDNCLMKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O2/c26-21-13-5-9-17-15-7-1-3-11-19(15)25(23(17)21)20-12-4-2-8-16(20)18-10-6-14-22(27)24(18)25/h1-14,26-27H.
What are the key properties of 9,9'-spirobi[fluorene]-1,1'-diol?
9,9'-spirobi[fluorene]-1,1'-diol has a molecular weight of 348.40 g/mol, XLogP of 5.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-1,1'-diol is sourced from PubChem (CID 11198850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).