8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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

C203H126B4N8O7 — CID 163953496

About 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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

8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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 (PubChem CID 163953496) has the molecular formula C203H126B4N8O7 and a molecular weight of 2832.54 g/mol. Its IUPAC name is 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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.

Molecular Properties

• Compound Name: 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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
• PubChem CID: 163953496
• Molecular Formula: C203H126B4N8O7
• Molecular Weight: 2832.54 g/mol
• Exact Mass: 2831.01
• IUPAC Name: 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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
• SMILES: CC1(C)c2ccccc2-c2ccc3c(oc4c(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)cccc43)c21.c1ccc2c(c1)B1c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(c31)N2c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)B1c3ccccc3N(c3ccc4oc5cc6ccccc6cc5c4c3)c3cccc(c31)N2c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)B1c3ccccc3N(c3ccc4oc5ccc6ccccc6c5c4c3)c3cccc(c31)N2c1ccc(-c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C54H33BN2O2.2C52H31BN2O2.C45H31BN2O/c1-7-24-50-40(12-1)42-16-9-14-38(53(42)58-50)34-26-30-36(31-27-34)56-46-20-5-3-18-44(46)55-45-19-4-6-21-47(45)57(49-23-11-22-48(56)52(49)55)37-32-28-35(29-33-37)39-15-10-17-43-41-13-2-8-25-51(41)59-54(39)43;1-2-12-36-32(11-1)25-29-49-50(36)40-31-35(28-30-48(40)56-49)55-44-19-7-5-17-42(44)53-41-16-4-6-18-43(41)54(45-20-10-21-46(55)51(45)53)34-26-23-33(24-27-34)37-14-9-15-39-38-13-3-8-22-47(38)57-52(37)39;1-2-12-34-30-50-40(29-33(34)11-1)41-31-36(27-28-49(41)56-50)55-45-19-7-5-17-43(45)53-42-16-4-6-18-44(42)54(46-20-10-21-47(55)51(46)53)35-25-23-32(24-26-35)37-14-9-15-39-38-13-3-8-22-48(38)57-52(37)39;1-45(2)33-18-7-6-16-29(33)30-26-27-32-31-17-12-25-40(43(31)49-44(32)41(30)45)48-37-22-11-9-20-35(37)46-34-19-8-10-21-36(34)47(28-14-4-3-5-15-28)38-23-13-24-39(48)42(38)46/h1-33H;2*1-31H;3-27H,1-2H3
• InChIKey: SBJHLGWKUFREMR-UHFFFAOYSA-N
• XLogP: 47.65
• TPSA: 117.90 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2832.54
LogP ≤ 5	47.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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?

The IUPAC name of 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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 (CID 163953496) is 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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.

What is the SMILES notation for 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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?

The canonical SMILES for 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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 is CC1(C)c2ccccc2-c2ccc3c(oc4c(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)cccc43)c21.c1ccc2c(c1)B1c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(c31)N2c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)B1c3ccccc3N(c3ccc4oc5cc6ccccc6cc5c4c3)c3cccc(c31)N2c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)B1c3ccccc3N(c3ccc4oc5ccc6ccccc6c5c4c3)c3cccc(c31)N2c1ccc(-c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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?

The InChIKey is SBJHLGWKUFREMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33BN2O2.2C52H31BN2O2.C45H31BN2O/c1-7-24-50-40(12-1)42-16-9-14-38(53(42)58-50)34-26-30-36(31-27-34)56-46-20-5-3-18-44(46)55-45-19-4-6-21-47(45)57(49-23-11-22-48(56)52(49)55)37-32-28-35(29-33-37)39-15-10-17-43-41-13-2-8-25-51(41)59-54(39)43;1-2-12-36-32(11-1)25-29-49-50(36)40-31-35(28-30-48(40)56-49)55-44-19-7-5-17-42(44)53-41-16-4-6-18-43(41)54(45-20-10-21-46(55)51(45)53)34-26-23-33(24-27-34)37-14-9-15-39-38-13-3-8-22-47(38)57-52(37)39;1-2-12-34-30-50-40(29-33(34)11-1)41-31-36(27-28-49(41)56-50)55-45-19-7-5-17-43(45)53-42-16-4-6-18-44(42)54(46-20-10-21-47(55)51(46)53)35-25-23-32(24-26-35)37-14-9-15-39-38-13-3-8-22-48(38)57-52(37)39;1-45(2)33-18-7-6-16-29(33)30-26-27-32-31-17-12-25-40(43(31)49-44(32)41(30)45)48-37-22-11-9-20-35(37)46-34-19-8-10-21-36(34)47(28-14-4-3-5-15-28)38-23-13-24-39(48)42(38)46/h1-33H;2*1-31H;3-27H,1-2H3.

What are the key properties of 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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?

8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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 has a molecular weight of 2832.54 g/mol, XLogP of 47.65, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(4-dibenzofuran-4-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,1-b][1]benzofuran-10-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(4-dibenzofuran-4-ylphenyl)-14-naphtho[2,3-b][1]benzofuran-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)-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 is sourced from PubChem (CID 163953496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).