1-(9H-fluoren-1-yl)anthracene-9,10-dione

C27H16O2 — CID 141480667

IUPAC1-(9H-fluoren-1-yl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C27H16O2/c28-26-21-9-3-4-10-22(21)27(29)25-20(13-6-14-23(25)26)19-12-5-11-18-17-8-2-1-7-16(17)15-24(18)19/h1-14H,15H2
InChIKeyPFBZOJIJXDAEKX-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.70
Rot. Bonds1

About 1-(9H-fluoren-1-yl)anthracene-9,10-dione

1-(9H-fluoren-1-yl)anthracene-9,10-dione (PubChem CID 141480667) has the molecular formula C27H16O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(9H-fluoren-1-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(9H-fluoren-1-yl)anthracene-9,10-dione
PubChem CID141480667
Molecular FormulaC27H16O2
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-(9H-fluoren-1-yl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C27H16O2/c28-26-21-9-3-4-10-22(21)27(29)25-20(13-6-14-23(25)26)19-12-5-11-18-17-8-2-1-7-16(17)15-24(18)19/h1-14H,15H2
InChIKeyPFBZOJIJXDAEKX-UHFFFAOYSA-N
XLogP5.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
10H-anthracen-9-one;fluoren-9-one
CID 67642372
9H-fluorene-1-carboxylic acid;9H-fluoren-1-ylmethanol;9-oxofluorene-1-carboxylic acid
CID 158862242
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
CID 123562270
CID 123562270
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
1-methylsulfonyl-9H-fluorene
CID 150271326
Fluorenylsilane
CID 22104606
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-1-yl)anthracene-9,10-dione?
The IUPAC name of 1-(9H-fluoren-1-yl)anthracene-9,10-dione (CID 141480667) is 1-(9H-fluoren-1-yl)anthracene-9,10-dione.
What is the SMILES notation for 1-(9H-fluoren-1-yl)anthracene-9,10-dione?
The canonical SMILES for 1-(9H-fluoren-1-yl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-1-yl)anthracene-9,10-dione?
The InChIKey is PFBZOJIJXDAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O2/c28-26-21-9-3-4-10-22(21)27(29)25-20(13-6-14-23(25)26)19-12-5-11-18-17-8-2-1-7-16(17)15-24(18)19/h1-14H,15H2.
What are the key properties of 1-(9H-fluoren-1-yl)anthracene-9,10-dione?
1-(9H-fluoren-1-yl)anthracene-9,10-dione has a molecular weight of 372.42 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-1-yl)anthracene-9,10-dione is sourced from PubChem (CID 141480667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).