14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C156H98B4N6O5S — CID 165087071

About 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 165087071) has the molecular formula C156H98B4N6O5S and a molecular weight of 2211.85 g/mol. Its IUPAC name is 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 165087071
• Molecular Formula: C156H98B4N6O5S
• Molecular Weight: 2211.85 g/mol
• Exact Mass: 2210.77
• IUPAC Name: 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc2c43)cc1.c1ccc2c(c1)Oc1cccc3c1B2c1ccccc1N3c1ccccc1-c1cccc2c1oc1ccccc12.c1ccc2c(c1)Sc1cccc3c1B2c1ccccc1N3c1ccccc1-c1cccc2c1oc1ccccc12
• InChI: InChI=1S/2C42H27BN2O.C36H22BNO2.C36H22BNOS/c1-2-14-28(15-3-1)44-36-23-9-6-20-33(36)43-34-21-7-10-24-37(34)45(39-26-13-25-38(44)41(39)43)35-22-8-4-16-29(35)31-18-12-19-32-30-17-5-11-27-40(30)46-42(31)32;1-2-13-29(14-3-1)44-36-20-9-6-17-33(36)43-34-18-7-10-21-37(34)45(39-23-12-22-38(44)42(39)43)35-19-8-4-15-30(35)28-25-26-32-31-16-5-11-24-40(31)46-41(32)27-28;1-5-17-29(23(11-1)25-13-9-14-26-24-12-2-7-20-32(24)40-36(25)26)38-30-18-6-3-15-27(30)37-28-16-4-8-21-33(28)39-34-22-10-19-31(38)35(34)37;1-5-17-29(23(11-1)25-13-9-14-26-24-12-2-7-20-32(24)39-36(25)26)38-30-18-6-3-15-27(30)37-28-16-4-8-21-33(28)40-34-22-10-19-31(38)35(34)37/h2*1-27H;2*1-22H
• InChIKey: WBRZOGIAPATQGM-UHFFFAOYSA-N
• XLogP: 34.35
• TPSA: 81.23 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.85
LogP ≤ 5	34.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 165087071) is 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc2c43)cc1.c1ccc2c(c1)Oc1cccc3c1B2c1ccccc1N3c1ccccc1-c1cccc2c1oc1ccccc12.c1ccc2c(c1)Sc1cccc3c1B2c1ccccc1N3c1ccccc1-c1cccc2c1oc1ccccc12.

What is the InChIKey of 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is WBRZOGIAPATQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H27BN2O.C36H22BNO2.C36H22BNOS/c1-2-14-28(15-3-1)44-36-23-9-6-20-33(36)43-34-21-7-10-24-37(34)45(39-26-13-25-38(44)41(39)43)35-22-8-4-16-29(35)31-18-12-19-32-30-17-5-11-27-40(30)46-42(31)32;1-2-13-29(14-3-1)44-36-20-9-6-17-33(36)43-34-18-7-10-21-37(34)45(39-23-12-22-38(44)42(39)43)35-19-8-4-15-30(35)28-25-26-32-31-16-5-11-24-40(31)46-41(32)27-28;1-5-17-29(23(11-1)25-13-9-14-26-24-12-2-7-20-32(24)40-36(25)26)38-30-18-6-3-15-27(30)37-28-16-4-8-21-33(28)39-34-22-10-19-31(38)35(34)37;1-5-17-29(23(11-1)25-13-9-14-26-24-12-2-7-20-32(24)39-36(25)26)38-30-18-6-3-15-27(30)37-28-16-4-8-21-33(28)40-34-22-10-19-31(38)35(34)37/h2*1-27H;2*1-22H.

What are the key properties of 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 2211.85 g/mol, XLogP of 34.35, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 165087071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).