4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

C21H17NO — CID 101385222

IUPAC4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCCn1c(=CC=C2C=CC(=O)C=C2)c2cccc3cccc1c32
InChIInChI=1S/C21H17NO/c1-2-22-19(14-11-15-9-12-17(23)13-10-15)18-7-3-5-16-6-4-8-20(22)21(16)18/h3-14H,2H2,1H3
InChIKeyZAAXYDLRDVZCBT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.94
Rot. Bonds2

About 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 101385222) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID101385222
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCCn1c(=CC=C2C=CC(=O)C=C2)c2cccc3cccc1c32
InChIInChI=1S/C21H17NO/c1-2-22-19(14-11-15-9-12-17(23)13-10-15)18-7-3-5-16-6-4-8-20(22)21(16)18/h3-14H,2H2,1H3
InChIKeyZAAXYDLRDVZCBT-UHFFFAOYSA-N
XLogP3.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diethyl-5-[(2E,5Z)-2-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]-5-[(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclopentylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 157474518
1-ethyl-2-methylidenebenzo[cd]indole
CID 23052627
(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine
CID 59951291
(2E)-1-ethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole
CID 135770654
5-[(2E,6E)-2,6-bis[(2E)-2-(1-butylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 153280722
2,4-bis[(1-tridecylbenzo[cd]indol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 91120047
1,3-dimethyl-5-[(5Z)-2-[(2E)-2-[1-(2-methylhexyl)benzo[cd]indol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(2-methylpropyl)benzo[cd]indol-2-ylidene]ethylidene]cyclopentylidene]-1,3-diazinane-2,4,6-trione
CID 59955776
1-ethyl-2-[2-[3-[2-(1-ethylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]benzo[cd]indole tetrafluoroborate
CID 57347266
5-ethylbenzo[b]carbazole-6-carbaldehyde
CID 14770234
5-[(2Z,5Z)-2,5-bis[(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)ethylidene]cyclopentylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 155765121
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
(2E)-1-butyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]benzo[cd]indole
CID 177415230

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 101385222) is 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is CCn1c(=CC=C2C=CC(=O)C=C2)c2cccc3cccc1c32.
What is the InChIKey of 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is ZAAXYDLRDVZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-2-22-19(14-11-15-9-12-17(23)13-10-15)18-7-3-5-16-6-4-8-20(22)21(16)18/h3-14H,2H2,1H3.
What are the key properties of 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 299.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 101385222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).