4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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

C174H129B3N8O3 — CID 157273021

About 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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

4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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 (PubChem CID 157273021) has the molecular formula C174H129B3N8O3 and a molecular weight of 2412.43 g/mol. Its IUPAC name is 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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
• PubChem CID: 157273021
• Molecular Formula: C174H129B3N8O3
• Molecular Weight: 2412.43 g/mol
• Exact Mass: 2411.05
• IUPAC Name: 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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
• SMILES: c1ccc(-c2ccc3c(c2)B2c4ccccc4N(c4ccccc4)c4cc(C5CCCCC5)cc(c42)N3c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3B3c4cc(-c5cccc6c5oc5ccccc56)ccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(C5CCCCC5)cc2c43)cc1.c1ccc(N2c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C5CCCCC5)cc2c43)cc1
• InChI: InChI=1S/C60H45BN4.C60H43BN2O2.C54H41BN2O/c1-3-17-40(18-4-1)41-37-58-60-59(38-41)64(44-33-31-43(32-34-44)62-52-26-12-7-21-46(52)47-22-8-13-27-53(47)62)57-36-35-45(65-54-28-14-9-23-48(54)49-24-10-15-29-55(49)65)39-51(57)61(60)50-25-11-16-30-56(50)63(58)42-19-5-2-6-20-42;1-3-15-38(16-4-1)41-36-54-58-55(37-41)63(43-32-29-39(30-33-43)44-21-13-23-48-46-19-7-11-27-56(46)64-59(44)48)53-34-31-40(45-22-14-24-49-47-20-8-12-28-57(47)65-60(45)49)35-51(53)61(58)50-25-9-10-26-52(50)62(54)42-17-5-2-6-18-42;1-4-15-36(16-5-1)39-29-32-49-47(33-39)55-46-24-11-12-25-48(46)56(41-19-8-3-9-20-41)50-34-40(37-17-6-2-7-18-37)35-51(53(50)55)57(49)42-30-27-38(28-31-42)43-22-14-23-45-44-21-10-13-26-52(44)58-54(43)45/h2,5-16,19-40H,1,3-4,17-18H2;2,5-14,17-38H,1,3-4,15-16H2;1,3-5,8-16,19-35,37H,2,6-7,17-18H2
• InChIKey: AYTITCOWLZULLU-UHFFFAOYSA-N
• XLogP: 42.01
• TPSA: 68.72 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.43
LogP ≤ 5	42.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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?

The IUPAC name of 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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 (CID 157273021) is 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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.

What is the SMILES notation for 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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?

The canonical SMILES for 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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 is c1ccc(-c2ccc3c(c2)B2c4ccccc4N(c4ccccc4)c4cc(C5CCCCC5)cc(c42)N3c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3B3c4cc(-c5cccc6c5oc5ccccc56)ccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(C5CCCCC5)cc2c43)cc1.c1ccc(N2c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C5CCCCC5)cc2c43)cc1.

What is the InChIKey of 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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?

The InChIKey is AYTITCOWLZULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45BN4.C60H43BN2O2.C54H41BN2O/c1-3-17-40(18-4-1)41-37-58-60-59(38-41)64(44-33-31-43(32-34-44)62-52-26-12-7-21-46(52)47-22-8-13-27-53(47)62)57-36-35-45(65-54-28-14-9-23-48(54)49-24-10-15-29-55(49)65)39-51(57)61(60)50-25-11-16-30-56(50)63(58)42-19-5-2-6-20-42;1-3-15-38(16-4-1)41-36-54-58-55(37-41)63(43-32-29-39(30-33-43)44-21-13-23-48-46-19-7-11-27-56(46)64-59(44)48)53-34-31-40(45-22-14-24-49-47-20-8-12-28-57(47)65-60(45)49)35-51(53)61(58)50-25-9-10-26-52(50)62(54)42-17-5-2-6-18-42;1-4-15-36(16-5-1)39-29-32-49-47(33-39)55-46-24-11-12-25-48(46)56(41-19-8-3-9-20-41)50-34-40(37-17-6-2-7-18-37)35-51(53(50)55)57(49)42-30-27-38(28-31-42)43-22-14-23-45-44-21-10-13-26-52(44)58-54(43)45/h2,5-16,19-40H,1,3-4,17-18H2;2,5-14,17-38H,1,3-4,15-16H2;1,3-5,8-16,19-35,37H,2,6-7,17-18H2.

What are the key properties of 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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?

4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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 has a molecular weight of 2412.43 g/mol, XLogP of 42.01, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-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;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-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;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-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 is sourced from PubChem (CID 157273021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).