2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline

C166H100N8O — CID 167592457

About 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline

2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline (PubChem CID 167592457) has the molecular formula C166H100N8O and a molecular weight of 2222.68 g/mol. Its IUPAC name is 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline
• PubChem CID: 167592457
• Molecular Formula: C166H100N8O
• Molecular Weight: 2222.68 g/mol
• Exact Mass: 2220.80
• IUPAC Name: 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline
• SMILES: c1ccc(-c2nc3cc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)ccc3nc2-c2ccc3ccccc3c2)cc1.c1ccc(-c2nc3ccc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)cc1.c1ccc2c(c1)ccc1c2ccc2ccc3cccc(-c4nc5ccccc5nc4-c4cccc5oc6ccccc6c45)c3c21
• InChI: InChI=1S/C46H28N2.C42H24N2O.C42H26N2.C36H22N2/c1-2-10-33(11-3-1)45-46(37-19-14-29-8-4-5-12-34(29)26-37)47-42-25-22-36(28-43(42)48-45)35-18-16-31-15-17-32-21-23-39-38-13-7-6-9-30(38)20-24-40(39)44(32)41(31)27-35;1-2-11-28-25(9-1)21-24-30-29(28)23-22-27-20-19-26-10-7-13-32(39(26)38(27)30)41-42(44-35-16-5-4-15-34(35)43-41)33-14-8-18-37-40(33)31-12-3-6-17-36(31)45-37;1-3-10-30(11-4-1)41-42(31-12-5-2-6-13-31)44-39-26-33(21-24-38(39)43-41)32-18-16-28-15-17-29-20-22-35-34-14-8-7-9-27(34)19-23-36(35)40(29)37(28)25-32;1-2-11-25(12-3-1)35-36(38-33-17-9-8-16-32(33)37-35)31-22-30-29(27-14-6-7-15-28(27)31)21-20-24-19-18-23-10-4-5-13-26(23)34(24)30/h1-28H;1-24H;1-26H;1-22H
• InChIKey: IPKYOLVYZCFEIM-UHFFFAOYSA-N
• XLogP: 44.69
• TPSA: 116.26 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2222.68
LogP ≤ 5	44.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline?

The IUPAC name of 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline (CID 167592457) is 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline.

What is the SMILES notation for 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline?

The canonical SMILES for 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline is c1ccc(-c2nc3cc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)ccc3nc2-c2ccc3ccccc3c2)cc1.c1ccc(-c2nc3ccc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)cc1.c1ccc2c(c1)ccc1c2ccc2ccc3cccc(-c4nc5ccccc5nc4-c4cccc5oc6ccccc6c45)c3c21.

What is the InChIKey of 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline?

The InChIKey is IPKYOLVYZCFEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2.C42H24N2O.C42H26N2.C36H22N2/c1-2-10-33(11-3-1)45-46(37-19-14-29-8-4-5-12-34(29)26-37)47-42-25-22-36(28-43(42)48-45)35-18-16-31-15-17-32-21-23-39-38-13-7-6-9-30(38)20-24-40(39)44(32)41(31)27-35;1-2-11-28-25(9-1)21-24-30-29(28)23-22-27-20-19-26-10-7-13-32(39(26)38(27)30)41-42(44-35-16-5-4-15-34(35)43-41)33-14-8-18-37-40(33)31-12-3-6-17-36(31)45-37;1-3-10-30(11-4-1)41-42(31-12-5-2-6-13-31)44-39-26-33(21-24-38(39)43-41)32-18-16-28-15-17-29-20-22-35-34-14-8-7-9-27(34)19-23-36(35)40(29)37(28)25-32;1-2-11-25(12-3-1)35-36(38-33-17-9-8-16-32(33)37-35)31-22-30-29(27-14-6-7-15-28(27)31)21-20-24-19-18-23-10-4-5-13-26(23)34(24)30/h1-28H;1-24H;1-26H;1-22H.

What are the key properties of 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline?

2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline has a molecular weight of 2222.68 g/mol, XLogP of 44.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-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;2-naphthalen-2-yl-6-(5-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;6-(5-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)-2,3-diphenylquinoxaline;2-(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)-3-phenylquinoxaline is sourced from PubChem (CID 167592457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).