6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione

C24H13FO2 — CID 163600910

IUPAC6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
SMILESO=c1c(-c2ccccc2)c2c(=O)c3cc(F)ccc3c-2c1-c1ccccc1
InChIInChI=1S/C24H13FO2/c25-16-11-12-17-18(13-16)23(26)22-20(15-9-5-2-6-10-15)24(27)19(21(17)22)14-7-3-1-4-8-14/h1-13H
InChIKeyGXNWYXZIIWNDRF-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.01
Rot. Bonds2

About 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione

6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione (PubChem CID 163600910) has the molecular formula C24H13FO2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione.

Molecular Properties

Compound Name6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
PubChem CID163600910
Molecular FormulaC24H13FO2
Molecular Weight352.36 g/mol
Exact Mass352.09
IUPAC Name6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
SMILESO=c1c(-c2ccccc2)c2c(=O)c3cc(F)ccc3c-2c1-c1ccccc1
InChIInChI=1S/C24H13FO2/c25-16-11-12-17-18(13-16)23(26)22-20(15-9-5-2-6-10-15)24(27)19(21(17)22)14-7-3-1-4-8-14/h1-13H
InChIKeyGXNWYXZIIWNDRF-UHFFFAOYSA-N
XLogP5.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 11393471
1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione
CID 102360983
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87425803
9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium
CID 71813207
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
7-fluoro-4-(4-fluorophenyl)-1-phenyl-2-propan-2-ylnaphthalene
CID 71425194
2-fluorotriphenylene
CID 23233895
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
CID 129184944

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione?
The IUPAC name of 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione (CID 163600910) is 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione.
What is the SMILES notation for 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione?
The canonical SMILES for 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione is O=c1c(-c2ccccc2)c2c(=O)c3cc(F)ccc3c-2c1-c1ccccc1.
What is the InChIKey of 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione?
The InChIKey is GXNWYXZIIWNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13FO2/c25-16-11-12-17-18(13-16)23(26)22-20(15-9-5-2-6-10-15)24(27)19(21(17)22)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione?
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione has a molecular weight of 352.36 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione is sourced from PubChem (CID 163600910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).