5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C191H126B4N10O2 — CID 158711601

About 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 158711601) has the molecular formula C191H126B4N10O2 and a molecular weight of 2636.42 g/mol. Its IUPAC name is 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• PubChem CID: 158711601
• Molecular Formula: C191H126B4N10O2
• Molecular Weight: 2636.42 g/mol
• Exact Mass: 2635.04
• IUPAC Name: 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccccn6)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1
• InChI: InChI=1S/C54H36BN3.2C48H31BN2O.C41H28BN3/c1-4-15-41(16-5-1)56-48-23-12-10-21-44(48)45-35-39(32-34-49(45)56)37-27-29-38(30-28-37)40-31-33-47-53(36-40)58(43-19-8-3-9-20-43)52-26-14-25-51-54(52)55(47)46-22-11-13-24-50(46)57(51)42-17-6-2-7-18-42;1-3-12-36(13-4-1)50-42-18-9-8-17-40(42)49-41-28-26-35(31-45(41)51(37-14-5-2-6-15-37)44-20-11-19-43(50)48(44)49)33-24-22-32(23-25-33)34-27-29-47-39(30-34)38-16-7-10-21-46(38)52-47;1-3-12-36(13-4-1)50-42-18-9-8-17-40(42)49-41-29-27-34(30-45(41)51(37-14-5-2-6-15-37)44-20-11-19-43(50)48(44)49)32-22-24-33(25-23-32)35-26-28-39-38-16-7-10-21-46(38)52-47(39)31-35;1-3-12-32(13-4-1)44-37-18-8-7-16-34(37)42-35-26-25-31(29-21-23-30(24-22-29)36-17-9-10-27-43-36)28-40(35)45(33-14-5-2-6-15-33)39-20-11-19-38(44)41(39)42/h1-36H;2*1-31H;1-28H
• InChIKey: IIUIIZBWBPZDIH-UHFFFAOYSA-N
• XLogP: 42.70
• TPSA: 70.02 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.42
LogP ≤ 5	42.70
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 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 158711601) is 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc(-c5ccc(-c6ccccn6)cc5)cc4N(c4ccccc4)c4cccc2c43)cc1.

What is the InChIKey of 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The InChIKey is IIUIIZBWBPZDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36BN3.2C48H31BN2O.C41H28BN3/c1-4-15-41(16-5-1)56-48-23-12-10-21-44(48)45-35-39(32-34-49(45)56)37-27-29-38(30-28-37)40-31-33-47-53(36-40)58(43-19-8-3-9-20-43)52-26-14-25-51-54(52)55(47)46-22-11-13-24-50(46)57(51)42-17-6-2-7-18-42;1-3-12-36(13-4-1)50-42-18-9-8-17-40(42)49-41-28-26-35(31-45(41)51(37-14-5-2-6-15-37)44-20-11-19-43(50)48(44)49)33-24-22-32(23-25-33)34-27-29-47-39(30-34)38-16-7-10-21-46(38)52-47;1-3-12-36(13-4-1)50-42-18-9-8-17-40(42)49-41-29-27-34(30-45(41)51(37-14-5-2-6-15-37)44-20-11-19-43(50)48(44)49)32-22-24-33(25-23-32)35-26-28-39-38-16-7-10-21-46(38)52-47(39)31-35;1-3-12-32(13-4-1)44-37-18-8-7-16-34(37)42-35-26-25-31(29-21-23-30(24-22-29)36-17-9-10-27-43-36)28-40(35)45(33-14-5-2-6-15-33)39-20-11-19-38(44)41(39)42/h1-36H;2*1-31H;1-28H.

What are the key properties of 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 2636.42 g/mol, XLogP of 42.70, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 158711601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).