14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene

C171H98N8O5 — CID 159851244

About 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene

14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene (PubChem CID 159851244) has the molecular formula C171H98N8O5 and a molecular weight of 2344.72 g/mol. Its IUPAC name is 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene.

Molecular Properties

• Compound Name: 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
• PubChem CID: 159851244
• Molecular Formula: C171H98N8O5
• Molecular Weight: 2344.72 g/mol
• Exact Mass: 2342.77
• IUPAC Name: 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5cccnc5c5c4ccc4c6ccccc6oc45)cc3)c3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4nc5cccnc5c5c4ccc4c6ccccc6oc45)cc3)cc21.c1cnc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1)c1ccc3c4ccccc4oc3c12.c1cnc2c(c1)nc(-c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc3c4ccccc4oc3c12
• InChI: InChI=1S/C49H28N2O.C44H26N2O.C42H24N2O.C36H20N2O2/c1-5-14-39-32(10-1)33-11-2-6-15-40(33)49(39)41-16-7-3-12-34(41)35-24-23-31(28-42(35)49)29-19-21-30(22-20-29)46-38-26-25-37-36-13-4-8-18-44(36)52-48(37)45(38)47-43(51-46)17-9-27-50-47;1-2-11-27(12-3-1)39-31-14-4-6-16-33(31)40(34-17-7-5-15-32(34)39)28-20-22-29(23-21-28)42-36-25-24-35-30-13-8-9-19-38(30)47-44(35)41(36)43-37(46-42)18-10-26-45-43;1-2-10-30-28(8-1)29-9-3-4-11-31(29)36-24-27(19-20-32(30)36)25-15-17-26(18-16-25)40-35-22-21-34-33-12-5-6-14-38(33)45-42(34)39(35)41-37(44-40)13-7-23-43-41;1-3-12-30-24(7-1)26-10-5-9-23(35(26)39-30)21-14-16-22(17-15-21)33-28-19-18-27-25-8-2-4-13-31(25)40-36(27)32(28)34-29(38-33)11-6-20-37-34/h1-28H;1-26H;1-24H;1-20H
• InChIKey: NPYSTQJWPXEBTD-UHFFFAOYSA-N
• XLogP: 45.74
• TPSA: 168.82 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.72
LogP ≤ 5	45.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

The IUPAC name of 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene (CID 159851244) is 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene.

What is the SMILES notation for 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

The canonical SMILES for 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5cccnc5c5c4ccc4c6ccccc6oc45)cc3)c3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4nc5cccnc5c5c4ccc4c6ccccc6oc45)cc3)cc21.c1cnc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1)c1ccc3c4ccccc4oc3c12.c1cnc2c(c1)nc(-c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc3c4ccccc4oc3c12.

What is the InChIKey of 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

The InChIKey is NPYSTQJWPXEBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O.C44H26N2O.C42H24N2O.C36H20N2O2/c1-5-14-39-32(10-1)33-11-2-6-15-40(33)49(39)41-16-7-3-12-34(41)35-24-23-31(28-42(35)49)29-19-21-30(22-20-29)46-38-26-25-37-36-13-4-8-18-44(36)52-48(37)45(38)47-43(51-46)17-9-27-50-47;1-2-11-27(12-3-1)39-31-14-4-6-16-33(31)40(34-17-7-5-15-32(34)39)28-20-22-29(23-21-28)42-36-25-24-35-30-13-8-9-19-38(30)47-44(35)41(36)43-37(46-42)18-10-26-45-43;1-2-10-30-28(8-1)29-9-3-4-11-31(29)36-24-27(19-20-32(30)36)25-15-17-26(18-16-25)40-35-22-21-34-33-12-5-6-14-38(33)45-42(34)39(35)41-37(44-40)13-7-23-43-41;1-3-12-30-24(7-1)26-10-5-9-23(35(26)39-30)21-14-16-22(17-15-21)33-28-19-18-27-25-8-2-4-13-31(25)40-36(27)32(28)34-29(38-33)11-6-20-37-34/h1-28H;1-26H;1-24H;1-20H.

What are the key properties of 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene has a molecular weight of 2344.72 g/mol, XLogP of 45.74, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene is sourced from PubChem (CID 159851244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).