7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one

C23H12OS2 — CID 102026502

IUPAC7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one
SMILESO=C1C(c2cccs2)=C2C(=C1c1cccs1)c1cccc3cccc2c13
InChIInChI=1S/C23H12OS2/c24-23-21(16-9-3-11-25-16)19-14-7-1-5-13-6-2-8-15(18(13)14)20(19)22(23)17-10-4-12-26-17/h1-12H
InChIKeyJGGUUNAKTDAUSL-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.38
Rot. Bonds2

About 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one

7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one (PubChem CID 102026502) has the molecular formula C23H12OS2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one.

Molecular Properties

Compound Name7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one
PubChem CID102026502
Molecular FormulaC23H12OS2
Molecular Weight368.48 g/mol
Exact Mass368.03
IUPAC Name7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one
SMILESO=C1C(c2cccs2)=C2C(=C1c1cccs1)c1cccc3cccc2c13
InChIInChI=1S/C23H12OS2/c24-23-21(16-9-3-11-25-16)19-14-7-1-5-13-6-2-8-15(18(13)14)20(19)22(23)17-10-4-12-26-17/h1-12H
InChIKeyJGGUUNAKTDAUSL-UHFFFAOYSA-N
XLogP6.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,9-bis(3-bromophenyl)cyclopenta[a]acenaphthylen-8-one
CID 118038191
2-benzo[a]anthracen-1-ylthiophene
CID 134811682
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione
CID 56838763
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
2,6-dithiophen-2-ylanthracene-9,10-dione
CID 11079243
2,3-bis(2-methyl-5-thiophen-2-ylthiophen-3-yl)naphthalene-1,4-dione
CID 101124466
benzo[a]phenalen-7-one;ethane
CID 90765972
4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 175100091
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082486
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione
CID 10848652

Frequently Asked Questions

What is the IUPAC name of 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one?
The IUPAC name of 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one (CID 102026502) is 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one.
What is the SMILES notation for 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one?
The canonical SMILES for 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one is O=C1C(c2cccs2)=C2C(=C1c1cccs1)c1cccc3cccc2c13.
What is the InChIKey of 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one?
The InChIKey is JGGUUNAKTDAUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12OS2/c24-23-21(16-9-3-11-25-16)19-14-7-1-5-13-6-2-8-15(18(13)14)20(19)22(23)17-10-4-12-26-17/h1-12H.
What are the key properties of 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one?
7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one has a molecular weight of 368.48 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one is sourced from PubChem (CID 102026502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).