9H-fluorene;fluoren-2-one

C26H18O — CID 161252645

IUPAC9H-fluorene;fluoren-2-one
SMILESO=C1C=CC2=c3ccccc3=CC2=C1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H8O.C13H10/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H;1-8H,9H2
InChIKeyVBLYVAUWLSLOAS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.95
Rot. Bonds

About 9H-fluorene;fluoren-2-one

9H-fluorene;fluoren-2-one (PubChem CID 161252645) has the molecular formula C26H18O and a molecular weight of 346.43 g/mol. Its IUPAC name is 9H-fluorene;fluoren-2-one.

Molecular Properties

Compound Name9H-fluorene;fluoren-2-one
PubChem CID161252645
Molecular FormulaC26H18O
Molecular Weight346.43 g/mol
Exact Mass346.14
IUPAC Name9H-fluorene;fluoren-2-one
SMILESO=C1C=CC2=c3ccccc3=CC2=C1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H8O.C13H10/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H;1-8H,9H2
InChIKeyVBLYVAUWLSLOAS-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;9H-fluorene
CID 159544077
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249
chromium;9H-fluorene
CID 161167703
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
9H-fluorene;formic acid
CID 175878260
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
azane;9H-fluorene;hydrobromide
CID 174352852
9H-fluorene;sulfane;hydrate
CID 159057499
carbon dioxide;9H-fluorene;methane
CID 158285860

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;fluoren-2-one?
The IUPAC name of 9H-fluorene;fluoren-2-one (CID 161252645) is 9H-fluorene;fluoren-2-one.
What is the SMILES notation for 9H-fluorene;fluoren-2-one?
The canonical SMILES for 9H-fluorene;fluoren-2-one is O=C1C=CC2=c3ccccc3=CC2=C1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;fluoren-2-one?
The InChIKey is VBLYVAUWLSLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C13H10/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H;1-8H,9H2.
What are the key properties of 9H-fluorene;fluoren-2-one?
9H-fluorene;fluoren-2-one has a molecular weight of 346.43 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;fluoren-2-one is sourced from PubChem (CID 161252645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).