(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline

C17H17N — CID 142398667

IUPAC(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline
SMILESC=C1/C(=C\C)c2nccc3cccc(c23)C1(C)C
InChIInChI=1S/C17H17N/c1-5-13-11(2)17(3,4)14-8-6-7-12-9-10-18-16(13)15(12)14/h5-10H,2H2,1,3-4H3/b13-5+
InChIKeyXDRZTTXTHXUKCP-WLRTZDKTSA-N
MW235.33 g/mol
LogP4.49
Rot. Bonds

About (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline

(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline (PubChem CID 142398667) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline.

Molecular Properties

Compound Name(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline
PubChem CID142398667
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline
SMILESC=C1/C(=C\C)c2nccc3cccc(c23)C1(C)C
InChIInChI=1S/C17H17N/c1-5-13-11(2)17(3,4)14-8-6-7-12-9-10-18-16(13)15(12)14/h5-10H,2H2,1,3-4H3/b13-5+
InChIKeyXDRZTTXTHXUKCP-WLRTZDKTSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline 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

8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline
CID 138733323
N-(8,8-dimethyl-3,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-8,8-dimethyl-N-phenyl-3,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-amine
CID 170523808
6-fluoro-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 134201762
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
3-(2-ethyl-1-methylcyclopropyl)-8,8-dimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 164529234
6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene
CID 140837740
1-(9,9-dimethylfluoren-1-yl)isoquinoline
CID 90835059
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
CID 154612633
CID 154612633
CID 59865379
CID 59865379
3-but-2-enyl-6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,9,11,13(17),14-heptaene;ethane;2-methylbutane
CID 145410492
CID 59865388
CID 59865388

Frequently Asked Questions

What is the IUPAC name of (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline?
The IUPAC name of (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline (CID 142398667) is (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline.
What is the SMILES notation for (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline?
The canonical SMILES for (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline is C=C1/C(=C\C)c2nccc3cccc(c23)C1(C)C.
What is the InChIKey of (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline?
The InChIKey is XDRZTTXTHXUKCP-WLRTZDKTSA-N. The full InChI is InChI=1S/C17H17N/c1-5-13-11(2)17(3,4)14-8-6-7-12-9-10-18-16(13)15(12)14/h5-10H,2H2,1,3-4H3/b13-5+.
What are the key properties of (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline?
(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline has a molecular weight of 235.33 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline is sourced from PubChem (CID 142398667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).