2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline

C172H102N8O2 — CID 167583881

About 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline

2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline (PubChem CID 167583881) has the molecular formula C172H102N8O2 and a molecular weight of 2312.76 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline
• PubChem CID: 167583881
• Molecular Formula: C172H102N8O2
• Molecular Weight: 2312.76 g/mol
• Exact Mass: 2310.81
• IUPAC Name: 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline
• SMILES: c1ccc(-c2nc3cc(-c4cccc5ccc6ccc7c8ccccc8ccc7c6c45)ccc3nc2-c2ccc3oc4ccccc4c3c2)cc1.c1ccc(-c2nc3ccc(-c4cc5c(ccc6ccc7ccccc7c65)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc2c(c1)ccc1c2c(-c2nc3ccccc3nc2-c2cccc3oc4ccccc4c23)cc2ccc3ccccc3c21.c1ccc2cc(-c3nc4ccccc4nc3-c3cccc4ccc5ccc6c7ccccc7ccc6c5c34)ccc2c1
• InChI: InChI=1S/C48H28N2O.C42H24N2O.C42H26N2.C40H24N2/c1-2-10-32(11-3-1)47-48(34-22-26-44-40(27-34)38-14-6-7-16-43(38)51-44)49-41-25-21-33(28-42(41)50-47)36-15-8-12-30-17-18-31-20-23-37-35-13-5-4-9-29(35)19-24-39(37)46(31)45(30)36;1-3-12-28-25(10-1)20-21-27-24-33(39-29-13-4-2-11-26(29)22-23-31(39)38(27)28)42-41(43-34-16-6-7-17-35(34)44-42)32-15-9-19-37-40(32)30-14-5-8-18-36(30)45-37;1-3-12-29(13-4-1)41-42(30-14-5-2-6-15-30)44-39-25-31(22-24-38(39)43-41)36-26-37-35(33-17-9-10-18-34(33)36)23-21-28-20-19-27-11-7-8-16-32(27)40(28)37;1-2-10-29-24-30(19-16-25(29)8-1)39-40(42-36-15-6-5-14-35(36)41-39)34-13-7-11-27-17-18-28-21-22-32-31-12-4-3-9-26(31)20-23-33(32)37(28)38(27)34/h1-28H;1-24H;1-26H;1-24H
• InChIKey: HNNCKAYSVYNSLR-UHFFFAOYSA-N
• XLogP: 46.59
• TPSA: 129.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2312.76
LogP ≤ 5	46.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline?

The IUPAC name of 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline (CID 167583881) is 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline.

What is the SMILES notation for 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline?

The canonical SMILES for 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline is c1ccc(-c2nc3cc(-c4cccc5ccc6ccc7c8ccccc8ccc7c6c45)ccc3nc2-c2ccc3oc4ccccc4c3c2)cc1.c1ccc(-c2nc3ccc(-c4cc5c(ccc6ccc7ccccc7c65)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc2c(c1)ccc1c2c(-c2nc3ccccc3nc2-c2cccc3oc4ccccc4c23)cc2ccc3ccccc3c21.c1ccc2cc(-c3nc4ccccc4nc3-c3cccc4ccc5ccc6c7ccccc7ccc6c5c34)ccc2c1.

What is the InChIKey of 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline?

The InChIKey is HNNCKAYSVYNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O.C42H24N2O.C42H26N2.C40H24N2/c1-2-10-32(11-3-1)47-48(34-22-26-44-40(27-34)38-14-6-7-16-43(38)51-44)49-41-25-21-33(28-42(41)50-47)36-15-8-12-30-17-18-31-20-23-37-35-13-5-4-9-29(35)19-24-39(37)46(31)45(30)36;1-3-12-28-25(10-1)20-21-27-24-33(39-29-13-4-2-11-26(29)22-23-31(39)38(27)28)42-41(43-34-16-6-7-17-35(34)44-42)32-15-9-19-37-40(32)30-14-5-8-18-36(30)45-37;1-3-12-29(13-4-1)41-42(30-14-5-2-6-15-30)44-39-25-31(22-24-38(39)43-41)36-26-37-35(33-17-9-10-18-34(33)36)23-21-28-20-19-27-11-7-8-16-32(27)40(28)37;1-2-10-29-24-30(19-16-25(29)8-1)39-40(42-36-15-6-5-14-35(36)41-39)34-13-7-11-27-17-18-28-21-22-32-31-12-4-3-9-26(31)20-23-33(32)37(28)38(27)34/h1-28H;1-24H;1-26H;1-24H.

What are the key properties of 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline?

2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline has a molecular weight of 2312.76 g/mol, XLogP of 46.59, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-6-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;2-dibenzofuran-1-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;6-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 167583881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).