1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane

C195H156N16O20 — CID 159096280

IUPAC1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane
SMILESC.Cc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC2Cc3cc4nc(-c5ccco5)c(-c5ccco5)nc4cc3C3C=CCC23)cc1.Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.Cc1ccc2c(c1)CCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C31H26N2O2.C30H22N2O3.C28H23N3O3.C27H21N3O3.3C26H20N2O3.CH4/c1-19-9-11-20(12-10-19)15-21-16-22-17-26-27(18-25(22)24-6-2-5-23(21)24)33-31(29-8-4-14-35-29)30(32-26)28-7-3-13-34-28;1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26;1-18-8-11-23-20(15-18)5-2-12-31(23)26(32)17-19-9-10-21-22(16-19)30-28(25-7-4-14-34-25)27(29-21)24-6-3-13-33-24;1-17-6-9-22-19(14-17)10-11-30(22)25(31)16-18-7-8-20-21(15-18)29-27(24-5-3-13-33-24)26(28-20)23-4-2-12-32-23;3*1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23;/h2-4,6-14,17-18,21,23-24H,5,15-16H2,1H3;2-15,18H,16-17H2,1H3;3-4,6-11,13-16H,2,5,12,17H2,1H3;2-9,12-15H,10-11,16H2,1H3;3*2-13,16H,14-15H2,1H3;1H4
InChIKeyKCSBQYYDTVUTAM-UHFFFAOYSA-N
MW3043.48 g/mol
LogP44.14
Rot. Bonds36

About 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane

1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane (PubChem CID 159096280) has the molecular formula C195H156N16O20 and a molecular weight of 3043.48 g/mol. Its IUPAC name is 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane.

Molecular Properties

Compound Name1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane
PubChem CID159096280
Molecular FormulaC195H156N16O20
Molecular Weight3043.48 g/mol
Exact Mass3041.17
IUPAC Name1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane
SMILESC.Cc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC2Cc3cc4nc(-c5ccco5)c(-c5ccco5)nc4cc3C3C=CCC23)cc1.Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.Cc1ccc2c(c1)CCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C31H26N2O2.C30H22N2O3.C28H23N3O3.C27H21N3O3.3C26H20N2O3.CH4/c1-19-9-11-20(12-10-19)15-21-16-22-17-26-27(18-25(22)24-6-2-5-23(21)24)33-31(29-8-4-14-35-29)30(32-26)28-7-3-13-34-28;1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26;1-18-8-11-23-20(15-18)5-2-12-31(23)26(32)17-19-9-10-21-22(16-19)30-28(25-7-4-14-34-25)27(29-21)24-6-3-13-33-24;1-17-6-9-22-19(14-17)10-11-30(22)25(31)16-18-7-8-20-21(15-18)29-27(24-5-3-13-33-24)26(28-20)23-4-2-12-32-23;3*1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23;/h2-4,6-14,17-18,21,23-24H,5,15-16H2,1H3;2-15,18H,16-17H2,1H3;3-4,6-11,13-16H,2,5,12,17H2,1H3;2-9,12-15H,10-11,16H2,1H3;3*2-13,16H,14-15H2,1H3;1H4
InChIKeyKCSBQYYDTVUTAM-UHFFFAOYSA-N
XLogP44.14
TPSA473.32 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.48
LogP ≤ 544.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane?
The IUPAC name of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane (CID 159096280) is 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane.
What is the SMILES notation for 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane?
The canonical SMILES for 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane is C.Cc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC2Cc3cc4nc(-c5ccco5)c(-c5ccco5)nc4cc3C3C=CCC23)cc1.Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.Cc1ccc2c(c1)CCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane?
The InChIKey is KCSBQYYDTVUTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2.C30H22N2O3.C28H23N3O3.C27H21N3O3.3C26H20N2O3.CH4/c1-19-9-11-20(12-10-19)15-21-16-22-17-26-27(18-25(22)24-6-2-5-23(21)24)33-31(29-8-4-14-35-29)30(32-26)28-7-3-13-34-28;1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26;1-18-8-11-23-20(15-18)5-2-12-31(23)26(32)17-19-9-10-21-22(16-19)30-28(25-7-4-14-34-25)27(29-21)24-6-3-13-33-24;1-17-6-9-22-19(14-17)10-11-30(22)25(31)16-18-7-8-20-21(15-18)29-27(24-5-3-13-33-24)26(28-20)23-4-2-12-32-23;3*1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23;/h2-4,6-14,17-18,21,23-24H,5,15-16H2,1H3;2-15,18H,16-17H2,1H3;3-4,6-11,13-16H,2,5,12,17H2,1H3;2-9,12-15H,10-11,16H2,1H3;3*2-13,16H,14-15H2,1H3;1H4.
What are the key properties of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane?
1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane has a molecular weight of 3043.48 g/mol, XLogP of 44.14, 36 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;tris(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);methane is sourced from PubChem (CID 159096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).