3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione

C145H114N16O18 — CID 167573332

IUPAC3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione
SMILESC=C1C2=C(c3ccccc3C(=O)C2=O)N(C)N1C(C)C.C=C1C2=C(c3ccccc3C(=O)C2=O)N(c2ccccc2)N1C.C=C1C2=C(c3ccccc3C(=O)C2=O)N(c2ccccc2)N1CC.C=C1NN(c2ccccc2)C2=C1C(=O)C(=O)c1ccccc12.CC(C)Oc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.CCOc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.Cc1c2c(nn1C(C)C)-c1ccccc1C(=O)C2=O.Cc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H16N2O3.C20H16N2O2.C19H14N2O3.C19H14N2O2.2C18H12N2O2.C16H16N2O2.C15H14N2O2/c1-12(2)25-20-16-17(22(21-20)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(23)19(16)24;1-3-21-13(2)17-18(22(21)14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(23)20(17)24;1-2-24-19-15-16(21(20-19)12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(22)18(15)23;1-12-16-17(21(20(12)2)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(22)19(16)23;2*1-11-15-16(20(19-11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(21)18(15)22;1-9(2)18-10(3)13-14(17(18)4)11-7-5-6-8-12(11)15(19)16(13)20;1-8(2)17-9(3)12-13(16-17)10-6-4-5-7-11(10)14(18)15(12)19/h3-12H,1-2H3;4-12H,2-3H2,1H3;3-11H,2H2,1H3;3-11H,1H2,2H3;2-10H,1H3;2-10,19H,1H2;5-9H,3H2,1-2,4H3;4-8H,1-3H3
InChIKeyGEWIKWFNVWRHKB-UHFFFAOYSA-N
MW2368.60 g/mol
LogP24.49
Rot. Bonds13

About 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione

3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione (PubChem CID 167573332) has the molecular formula C145H114N16O18 and a molecular weight of 2368.60 g/mol. Its IUPAC name is 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione.

Molecular Properties

Compound Name3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione
PubChem CID167573332
Molecular FormulaC145H114N16O18
Molecular Weight2368.60 g/mol
Exact Mass2366.85
IUPAC Name3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione
SMILESC=C1C2=C(c3ccccc3C(=O)C2=O)N(C)N1C(C)C.C=C1C2=C(c3ccccc3C(=O)C2=O)N(c2ccccc2)N1C.C=C1C2=C(c3ccccc3C(=O)C2=O)N(c2ccccc2)N1CC.C=C1NN(c2ccccc2)C2=C1C(=O)C(=O)c1ccccc12.CC(C)Oc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.CCOc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.Cc1c2c(nn1C(C)C)-c1ccccc1C(=O)C2=O.Cc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H16N2O3.C20H16N2O2.C19H14N2O3.C19H14N2O2.2C18H12N2O2.C16H16N2O2.C15H14N2O2/c1-12(2)25-20-16-17(22(21-20)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(23)19(16)24;1-3-21-13(2)17-18(22(21)14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(23)20(17)24;1-2-24-19-15-16(21(20-19)12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(22)18(15)23;1-12-16-17(21(20(12)2)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(22)19(16)23;2*1-11-15-16(20(19-11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(21)18(15)22;1-9(2)18-10(3)13-14(17(18)4)11-7-5-6-8-12(11)15(19)16(13)20;1-8(2)17-9(3)12-13(16-17)10-6-4-5-7-11(10)14(18)15(12)19/h3-12H,1-2H3;4-12H,2-3H2,1H3;3-11H,2H2,1H3;3-11H,1H2,2H3;2-10H,1H3;2-10,19H,1H2;5-9H,3H2,1-2,4H3;4-8H,1-3H3
InChIKeyGEWIKWFNVWRHKB-UHFFFAOYSA-N
XLogP24.49
TPSA397.57 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds13
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.60
LogP ≤ 524.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'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 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione with MolForge

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Related Compounds

bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one
CID 167632080
3-(3-Methylbutoxy)-1-phenylbenzo[g]indazole-4,5-dione;2-(3-methylbutyl)-1-phenylbenzo[g]indazole-3,4,5-trione;3-methylidene-1-phenyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;2-methyl-3-phenylbenzo[e]indazole-1,4,5-trione;3-(2-methylpropoxy)-1-phenylbenzo[g]indazole-4,5-dione;2-(2-methylpropyl)-1-phenylbenzo[g]indazole-3,4,5-trione
CID 167684617

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione?
The IUPAC name of 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione (CID 167573332) is 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione.
What is the SMILES notation for 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione?
The canonical SMILES for 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione is C=C1C2=C(c3ccccc3C(=O)C2=O)N(C)N1C(C)C.C=C1C2=C(c3ccccc3C(=O)C2=O)N(c2ccccc2)N1C.C=C1C2=C(c3ccccc3C(=O)C2=O)N(c2ccccc2)N1CC.C=C1NN(c2ccccc2)C2=C1C(=O)C(=O)c1ccccc12.CC(C)Oc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.CCOc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.Cc1c2c(nn1C(C)C)-c1ccccc1C(=O)C2=O.Cc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione?
The InChIKey is GEWIKWFNVWRHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3.C20H16N2O2.C19H14N2O3.C19H14N2O2.2C18H12N2O2.C16H16N2O2.C15H14N2O2/c1-12(2)25-20-16-17(22(21-20)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(23)19(16)24;1-3-21-13(2)17-18(22(21)14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(23)20(17)24;1-2-24-19-15-16(21(20-19)12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(22)18(15)23;1-12-16-17(21(20(12)2)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(22)19(16)23;2*1-11-15-16(20(19-11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(21)18(15)22;1-9(2)18-10(3)13-14(17(18)4)11-7-5-6-8-12(11)15(19)16(13)20;1-8(2)17-9(3)12-13(16-17)10-6-4-5-7-11(10)14(18)15(12)19/h3-12H,1-2H3;4-12H,2-3H2,1H3;3-11H,2H2,1H3;3-11H,1H2,2H3;2-10H,1H3;2-10,19H,1H2;5-9H,3H2,1-2,4H3;4-8H,1-3H3.
What are the key properties of 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione?
3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione has a molecular weight of 2368.60 g/mol, XLogP of 24.49, 13 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione is sourced from PubChem (CID 167573332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).