11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C165H95N7O4S — CID 157385099

About 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 157385099) has the molecular formula C165H95N7O4S and a molecular weight of 2271.69 g/mol. Its IUPAC name is 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 157385099
• Molecular Formula: C165H95N7O4S
• Molecular Weight: 2271.69 g/mol
• Exact Mass: 2269.72
• IUPAC Name: 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc42)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc42)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc42)c2oc4ccccc4c23)cc1
• InChI: InChI=1S/C67H39N3O.C49H28N2O2.C49H28N2OS/c1-2-16-40(17-3-1)66-56-39-62(67-65(52-25-11-15-29-63(52)71-67)64(56)51-24-8-12-26-57(51)68-66)70-59-28-14-10-23-50(59)55-37-42(31-35-61(55)70)41-30-34-60-54(36-41)49-22-9-13-27-58(49)69(60)43-32-33-48-46-20-5-4-18-44(46)45-19-6-7-21-47(45)53(48)38-43;1-2-12-29(13-3-1)48-38-28-42(49-47(35-17-7-11-21-44(35)53-49)46(38)34-16-4-8-18-39(34)50-48)51-40-19-9-5-14-32(40)36-26-30(22-24-41(36)51)31-23-25-45-37(27-31)33-15-6-10-20-43(33)52-45;1-2-12-29(13-3-1)48-38-28-42(49-47(35-17-6-10-20-43(35)52-49)46(38)34-16-4-8-18-39(34)50-48)51-40-19-9-5-14-32(40)36-26-30(22-24-41(36)51)31-23-25-45-37(27-31)33-15-7-11-21-44(33)53-45/h1-39H;2*1-28H
• InChIKey: BLILNQUAVMWWKI-UHFFFAOYSA-N
• XLogP: 45.98
• TPSA: 110.95 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.69
LogP ≤ 5	45.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 157385099) is 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc42)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc42)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc42)c2oc4ccccc4c23)cc1.

What is the InChIKey of 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is BLILNQUAVMWWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N3O.C49H28N2O2.C49H28N2OS/c1-2-16-40(17-3-1)66-56-39-62(67-65(52-25-11-15-29-63(52)71-67)64(56)51-24-8-12-26-57(51)68-66)70-59-28-14-10-23-50(59)55-37-42(31-35-61(55)70)41-30-34-60-54(36-41)49-22-9-13-27-58(49)69(60)43-32-33-48-46-20-5-4-18-44(46)45-19-6-7-21-47(45)53(48)38-43;1-2-12-29(13-3-1)48-38-28-42(49-47(35-17-7-11-21-44(35)53-49)46(38)34-16-4-8-18-39(34)50-48)51-40-19-9-5-14-32(40)36-26-30(22-24-41(36)51)31-23-25-45-37(27-31)33-15-6-10-20-43(33)52-45;1-2-12-29(13-3-1)48-38-28-42(49-47(35-17-6-10-20-43(35)52-49)46(38)34-16-4-8-18-39(34)50-48)51-40-19-9-5-14-32(40)36-26-30(22-24-41(36)51)31-23-25-45-37(27-31)33-15-7-11-21-44(33)53-45/h1-39H;2*1-28H.

What are the key properties of 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 2271.69 g/mol, XLogP of 45.98, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3-dibenzofuran-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzothiophen-2-ylcarbazol-9-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 157385099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).