5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione

C105H86N4O10S2 — CID 157235108

IUPAC5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione
SMILESCCc1cc2c(c3ccccc13)-c1ccc(C)cc1C2=O.CCc1cc2c(c3ccccc13)-c1ccc(C)cc1S2(=O)=O.CCc1cc2c(c3ccccc13)-c1ccc(C)cc1S2=O.CCc1cc2c(cc1C)C(=O)c1nccnc1C2=O.CCc1ccc(C)c2c1C(=O)c1nccnc1C2=O.CCc1ccc2c(c1)C(=O)C(=O)c1cc(C)ccc1-2
InChIInChI=1S/C20H16O.C19H16O2S.C19H16OS.C17H14O2.2C15H12N2O2/c1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)20(18)21;1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)22(18,20)21;1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)21(18)20;1-3-11-5-7-13-12-6-4-10(2)8-14(12)16(18)17(19)15(13)9-11;1-3-9-7-11-10(6-8(9)2)14(18)12-13(15(11)19)17-5-4-16-12;1-3-9-5-4-8(2)10-11(9)15(19)13-12(14(10)18)16-6-7-17-13/h4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;2*4-7H,3H2,1-2H3
InChIKeyAUNUIGRGLCUEII-UHFFFAOYSA-N
MW1627.99 g/mol
LogP22.15
Rot. Bonds6

About 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione

5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione (PubChem CID 157235108) has the molecular formula C105H86N4O10S2 and a molecular weight of 1627.99 g/mol. Its IUPAC name is 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione.

Molecular Properties

Compound Name5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione
PubChem CID157235108
Molecular FormulaC105H86N4O10S2
Molecular Weight1627.99 g/mol
Exact Mass1626.58
IUPAC Name5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione
SMILESCCc1cc2c(c3ccccc13)-c1ccc(C)cc1C2=O.CCc1cc2c(c3ccccc13)-c1ccc(C)cc1S2(=O)=O.CCc1cc2c(c3ccccc13)-c1ccc(C)cc1S2=O.CCc1cc2c(cc1C)C(=O)c1nccnc1C2=O.CCc1ccc(C)c2c1C(=O)c1nccnc1C2=O.CCc1ccc2c(c1)C(=O)C(=O)c1cc(C)ccc1-2
InChIInChI=1S/C20H16O.C19H16O2S.C19H16OS.C17H14O2.2C15H12N2O2/c1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)20(18)21;1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)22(18,20)21;1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)21(18)20;1-3-11-5-7-13-12-6-4-10(2)8-14(12)16(18)17(19)15(13)9-11;1-3-9-7-11-10(6-8(9)2)14(18)12-13(15(11)19)17-5-4-16-12;1-3-9-5-4-8(2)10-11(9)15(19)13-12(14(10)18)16-6-7-17-13/h4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;2*4-7H,3H2,1-2H3
InChIKeyAUNUIGRGLCUEII-UHFFFAOYSA-N
XLogP22.15
TPSA222.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.99
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione?
The IUPAC name of 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione (CID 157235108) is 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione.
What is the SMILES notation for 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione?
The canonical SMILES for 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione is CCc1cc2c(c3ccccc13)-c1ccc(C)cc1C2=O.CCc1cc2c(c3ccccc13)-c1ccc(C)cc1S2(=O)=O.CCc1cc2c(c3ccccc13)-c1ccc(C)cc1S2=O.CCc1cc2c(cc1C)C(=O)c1nccnc1C2=O.CCc1ccc(C)c2c1C(=O)c1nccnc1C2=O.CCc1ccc2c(c1)C(=O)C(=O)c1cc(C)ccc1-2.
What is the InChIKey of 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione?
The InChIKey is AUNUIGRGLCUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O.C19H16O2S.C19H16OS.C17H14O2.2C15H12N2O2/c1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)20(18)21;1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)22(18,20)21;1-3-13-11-18-19(15-7-5-4-6-14(13)15)16-9-8-12(2)10-17(16)21(18)20;1-3-11-5-7-13-12-6-4-10(2)8-14(12)16(18)17(19)15(13)9-11;1-3-9-7-11-10(6-8(9)2)14(18)12-13(15(11)19)17-5-4-16-12;1-3-9-5-4-8(2)10-11(9)15(19)13-12(14(10)18)16-6-7-17-13/h4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;2*4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione?
5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione has a molecular weight of 1627.99 g/mol, XLogP of 22.15, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-methylbenzo[c]fluoren-7-one;6-ethyl-9-methylbenzo[g]quinoxaline-5,10-dione;7-ethyl-8-methylbenzo[g]quinoxaline-5,10-dione;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7,7-dioxide;5-ethyl-9-methylnaphtho[2,1-b][1]benzothiole 7-oxide;2-ethyl-7-methylphenanthrene-9,10-dione is sourced from PubChem (CID 157235108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).