11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile

C186H110B2N24 — CID 158111724

About 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile

11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile (PubChem CID 158111724) has the molecular formula C186H110B2N24 and a molecular weight of 2702.72 g/mol. Its IUPAC name is 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile.

Molecular Properties

• Compound Name: 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile
• PubChem CID: 158111724
• Molecular Formula: C186H110B2N24
• Molecular Weight: 2702.72 g/mol
• Exact Mass: 2700.95
• IUPAC Name: 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile
• SMILES: [C-]#[N+]c1ccc(-n2c3ccc(-c4cc5c6c(c4)N(c4ccc(-c7ccccc7)cc4)c4cc(C#N)ccc4B6c4ccc(C#N)cc4N5c4ccc(-c5ccccc5)cc4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4cc5c6c(c4)N(c4ccc(-c7ccccc7)cc4)c4cc(C#N)ccc4B6c4ccc(C#N)cc4N5c4ccc(-c5ccccc5)cc4)cc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/2C93H55BN12/c1-97-72-40-49-81(77(56-72)93-102-90(67-28-16-6-17-29-67)99-91(103-93)68-30-18-7-19-31-68)106-80-48-39-69(52-76(80)75-45-38-70(53-82(75)106)92-100-88(65-24-12-4-13-25-65)98-89(101-92)66-26-14-5-15-27-66)71-54-85-87-86(55-71)105(74-43-36-64(37-44-74)62-22-10-3-11-23-62)84-51-60(58-96)33-47-79(84)94(87)78-46-32-59(57-95)50-83(78)104(85)73-41-34-63(35-42-73)61-20-8-2-9-21-61;1-97-72-40-49-82(77(56-72)93-102-90(67-28-16-6-17-29-67)99-91(103-93)68-30-18-7-19-31-68)106-80-47-38-69(52-75(80)76-53-70(39-48-81(76)106)92-100-88(65-24-12-4-13-25-65)98-89(101-92)66-26-14-5-15-27-66)71-54-85-87-86(55-71)105(74-43-36-64(37-44-74)62-22-10-3-11-23-62)84-51-60(58-96)33-46-79(84)94(87)78-45-32-59(57-95)50-83(78)104(85)73-41-34-63(35-42-73)61-20-8-2-9-21-61/h2*2-56H
• InChIKey: FQNCUQHGWCGYND-UHFFFAOYSA-N
• XLogP: 41.07
• TPSA: 281.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.72
LogP ≤ 5	41.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile?

The IUPAC name of 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile (CID 158111724) is 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile.

What is the SMILES notation for 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile?

The canonical SMILES for 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile is [C-]#[N+]c1ccc(-n2c3ccc(-c4cc5c6c(c4)N(c4ccc(-c7ccccc7)cc4)c4cc(C#N)ccc4B6c4ccc(C#N)cc4N5c4ccc(-c5ccccc5)cc4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4cc5c6c(c4)N(c4ccc(-c7ccccc7)cc4)c4cc(C#N)ccc4B6c4ccc(C#N)cc4N5c4ccc(-c5ccccc5)cc4)cc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

What is the InChIKey of 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile?

The InChIKey is FQNCUQHGWCGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C93H55BN12/c1-97-72-40-49-81(77(56-72)93-102-90(67-28-16-6-17-29-67)99-91(103-93)68-30-18-7-19-31-68)106-80-48-39-69(52-76(80)75-45-38-70(53-82(75)106)92-100-88(65-24-12-4-13-25-65)98-89(101-92)66-26-14-5-15-27-66)71-54-85-87-86(55-71)105(74-43-36-64(37-44-74)62-22-10-3-11-23-62)84-51-60(58-96)33-47-79(84)94(87)78-46-32-59(57-95)50-83(78)104(85)73-41-34-63(35-42-73)61-20-8-2-9-21-61;1-97-72-40-49-82(77(56-72)93-102-90(67-28-16-6-17-29-67)99-91(103-93)68-30-18-7-19-31-68)106-80-47-38-69(52-75(80)76-53-70(39-48-81(76)106)92-100-88(65-24-12-4-13-25-65)98-89(101-92)66-26-14-5-15-27-66)71-54-85-87-86(55-71)105(74-43-36-64(37-44-74)62-22-10-3-11-23-62)84-51-60(58-96)33-46-79(84)94(87)78-45-32-59(57-95)50-83(78)104(85)73-41-34-63(35-42-73)61-20-8-2-9-21-61/h2*2-56H.

What are the key properties of 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile?

11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile has a molecular weight of 2702.72 g/mol, XLogP of 41.07, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]carbazol-3-yl]-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-dicarbonitrile is sourced from PubChem (CID 158111724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).