11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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

C177H112B3F3N12 — CID 160836318

About 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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

11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 160836318) has the molecular formula C177H112B3F3N12 and a molecular weight of 2496.36 g/mol. Its IUPAC name is 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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: 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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: 160836318
• Molecular Formula: C177H112B3F3N12
• Molecular Weight: 2496.36 g/mol
• Exact Mass: 2494.94
• IUPAC Name: 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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: FC(F)(F)c1cccc(-c2ccccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)ccc32)c1.N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)ccc32)c1
• InChI: InChI=1S/C67H42BN5.C55H35BF3N3.C55H35BN4/c1-69-46-37-39-62(72-57-30-14-8-24-49(57)50-25-9-15-31-58(50)72)54(43-46)52-27-11-17-33-60(52)73-59-32-16-10-26-51(59)53-40-44(36-38-61(53)73)45-41-65-67-66(42-45)71(48-22-6-3-7-23-48)64-35-19-13-29-56(64)68(67)55-28-12-18-34-63(55)70(65)47-20-4-2-5-21-47;57-55(58,59)39-17-15-16-37(32-39)42-22-7-11-26-47(42)62-48-27-12-8-23-43(48)44-33-36(30-31-49(44)62)38-34-52-54-53(35-38)61(41-20-5-2-6-21-41)51-29-14-10-25-46(51)56(54)45-24-9-13-28-50(45)60(52)40-18-3-1-4-19-40;57-36-37-16-15-17-39(32-37)43-22-7-11-26-48(43)60-49-27-12-8-23-44(49)45-33-38(30-31-50(45)60)40-34-53-55-54(35-40)59(42-20-5-2-6-21-42)52-29-14-10-25-47(52)56(55)46-24-9-13-28-51(46)58(53)41-18-3-1-4-19-41/h2-43H;1-35H;1-35H
• InChIKey: SHLLQGJXMKFNFK-UHFFFAOYSA-N
• XLogP: 41.14
• TPSA: 67.31 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2496.36
LogP ≤ 5	41.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 160836318) is 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 FC(F)(F)c1cccc(-c2ccccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)ccc32)c1.N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)ccc32)c1.

What is the InChIKey of 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 SHLLQGJXMKFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42BN5.C55H35BF3N3.C55H35BN4/c1-69-46-37-39-62(72-57-30-14-8-24-49(57)50-25-9-15-31-58(50)72)54(43-46)52-27-11-17-33-60(52)73-59-32-16-10-26-51(59)53-40-44(36-38-61(53)73)45-41-65-67-66(42-45)71(48-22-6-3-7-23-48)64-35-19-13-29-56(64)68(67)55-28-12-18-34-63(55)70(65)47-20-4-2-5-21-47;57-55(58,59)39-17-15-16-37(32-39)42-22-7-11-26-47(42)62-48-27-12-8-23-43(48)44-33-36(30-31-49(44)62)38-34-52-54-53(35-38)61(41-20-5-2-6-21-41)51-29-14-10-25-46(51)56(54)45-24-9-13-28-50(45)60(52)40-18-3-1-4-19-40;57-36-37-16-15-17-39(32-37)43-22-7-11-26-48(43)60-49-27-12-8-23-44(49)45-33-38(30-31-50(45)60)40-34-53-55-54(35-40)59(42-20-5-2-6-21-42)52-29-14-10-25-47(52)56(55)46-24-9-13-28-51(46)58(53)41-18-3-1-4-19-41/h2-43H;1-35H;1-35H.

What are the key properties of 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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?

11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 2496.36 g/mol, XLogP of 41.14, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-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;3-[2-[3-(8,14-diphenyl-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-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-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 160836318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).