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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)

C216H165BrN16O23 — CID 158867520

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one) (PubChem CID 158867520) has the molecular formula C216H165BrN16O23 and a molecular weight of 3432.69 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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one).

Molecular Properties

• Compound Name: 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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)
• PubChem CID: 158867520
• Molecular Formula: C216H165BrN16O23
• Molecular Weight: 3432.69 g/mol
• Exact Mass: 3429.14
• IUPAC Name: 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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)
• SMILES: 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(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC2Cc3cc4nc(-c5ccco5)c(-c5ccco5)nc4cc3C3C=CCC23)cc1.Cc1cccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1.O=C(Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Cc1ccccc1Br
• InChI: InChI=1S/C31H26N2O2.C30H22N2O3.5C26H20N2O3.C25H17BrN2O3/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;1-17-5-2-6-18(13-17)14-20(29)15-19-9-10-21-22(16-19)28-26(24-8-4-12-31-24)25(27-21)23-7-3-11-30-23;4*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;26-19-6-2-1-5-17(19)15-18(29)13-16-9-10-20-21(14-16)28-25(23-8-4-12-31-23)24(27-20)22-7-3-11-30-22/h2-4,6-14,17-18,21,23-24H,5,15-16H2,1H3;2-15,18H,16-17H2,1H3;5*2-13,16H,14-15H2,1H3;1-12,14H,13,15H2
• InChIKey: JBKSYLOEDFSHRG-UHFFFAOYSA-N
• XLogP: 49.83
• TPSA: 535.97 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 46
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3432.69
LogP ≤ 5	49.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)?

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one) (CID 158867520) 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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one).

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)?

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one) is 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(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC2Cc3cc4nc(-c5ccco5)c(-c5ccco5)nc4cc3C3C=CCC23)cc1.Cc1cccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1.O=C(Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Cc1ccccc1Br.

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)?

The InChIKey is JBKSYLOEDFSHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2.C30H22N2O3.5C26H20N2O3.C25H17BrN2O3/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;1-17-5-2-6-18(13-17)14-20(29)15-19-9-10-21-22(16-19)28-26(24-8-4-12-31-24)25(27-21)23-7-3-11-30-23;4*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;26-19-6-2-1-5-17(19)15-18(29)13-16-9-10-20-21(14-16)28-25(23-8-4-12-31-23)24(27-20)22-7-3-11-30-22/h2-4,6-14,17-18,21,23-24H,5,15-16H2,1H3;2-15,18H,16-17H2,1H3;5*2-13,16H,14-15H2,1H3;1-12,14H,13,15H2.

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one)?

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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one) has a molecular weight of 3432.69 g/mol, XLogP of 49.83, 46 rotatable bonds, 0 hydrogen bond donors, and 39 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;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one) is sourced from PubChem (CID 158867520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).