2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline

C132H74N6O4S — CID 165094684

About 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline

2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline (PubChem CID 165094684) has the molecular formula C132H74N6O4S and a molecular weight of 1840.15 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline
• PubChem CID: 165094684
• Molecular Formula: C132H74N6O4S
• Molecular Weight: 1840.15 g/mol
• Exact Mass: 1838.55
• IUPAC Name: 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline
• SMILES: c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(ccc5ccc6c(ccc7c8ccccc8oc76)c54)c3)cc2)cc1.c1ccc2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccc4c(ccc5ccc6c(ccc7c8ccccc8oc76)c54)c3)nc2c1.c1ccc2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccc4c(ccc5ccc6c(ccc7c8ccccc8sc76)c54)c3)nc2c1
• InChI: InChI=1S/C44H24N2O2.C44H24N2OS.C44H26N2O/c1-5-11-38-30(7-1)32-19-17-28(24-40(32)47-38)43-42(45-36-9-3-4-10-37(36)46-43)27-16-18-29-26(23-27)14-13-25-15-20-35-33(41(25)29)21-22-34-31-8-2-6-12-39(31)48-44(34)35;1-5-11-38-30(7-1)31-19-17-28(24-39(31)47-38)43-42(45-36-9-3-4-10-37(36)46-43)27-16-18-29-26(23-27)14-13-25-15-20-35-33(41(25)29)21-22-34-32-8-2-6-12-40(32)48-44(34)35;1-2-8-27(9-3-1)28-14-17-30(18-15-28)42-43(46-39-12-6-5-11-38(39)45-42)32-21-22-33-31(26-32)19-16-29-20-23-37-35(41(29)33)24-25-36-34-10-4-7-13-40(34)47-44(36)37/h2*1-24H;1-26H
• InChIKey: XHJBFBPYVVBRQO-UHFFFAOYSA-N
• XLogP: 36.90
• TPSA: 129.90 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.15
LogP ≤ 5	36.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline?

The IUPAC name of 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline (CID 165094684) is 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline.

What is the SMILES notation for 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline?

The canonical SMILES for 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline is c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(ccc5ccc6c(ccc7c8ccccc8oc76)c54)c3)cc2)cc1.c1ccc2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccc4c(ccc5ccc6c(ccc7c8ccccc8oc76)c54)c3)nc2c1.c1ccc2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccc4c(ccc5ccc6c(ccc7c8ccccc8sc76)c54)c3)nc2c1.

What is the InChIKey of 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline?

The InChIKey is XHJBFBPYVVBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O2.C44H24N2OS.C44H26N2O/c1-5-11-38-30(7-1)32-19-17-28(24-40(32)47-38)43-42(45-36-9-3-4-10-37(36)46-43)27-16-18-29-26(23-27)14-13-25-15-20-35-33(41(25)29)21-22-34-31-8-2-6-12-39(31)48-44(34)35;1-5-11-38-30(7-1)31-19-17-28(24-39(31)47-38)43-42(45-36-9-3-4-10-37(36)46-43)27-16-18-29-26(23-27)14-13-25-15-20-35-33(41(25)29)21-22-34-32-8-2-6-12-40(32)48-44(34)35;1-2-8-27(9-3-1)28-14-17-30(18-15-28)42-43(46-39-12-6-5-11-38(39)45-42)32-21-22-33-31(26-32)19-16-29-20-23-37-35(41(29)33)24-25-36-34-10-4-7-13-40(34)47-44(36)37/h2*1-24H;1-26H.

What are the key properties of 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline?

2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline has a molecular weight of 1840.15 g/mol, XLogP of 36.90, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-3-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-dibenzofuran-3-yl-3-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)quinoxaline;2-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-3-(4-phenylphenyl)quinoxaline is sourced from PubChem (CID 165094684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).