8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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

C87H57BN6 — CID 155763277

About 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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

8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 155763277) has the molecular formula C87H57BN6 and a molecular weight of 1197.27 g/mol. Its IUPAC name is 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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: 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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: 155763277
• Molecular Formula: C87H57BN6
• Molecular Weight: 1197.27 g/mol
• Exact Mass: 1196.47
• IUPAC Name: 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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: c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4B4c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc3c54)c2)cc1
• InChI: InChI=1S/C87H57BN6/c1-7-27-58(28-8-1)65-49-66(59-29-9-2-10-30-59)52-70(51-65)92-80-45-25-21-41-75(80)88-76-42-22-26-46-81(76)93(71-53-67(60-31-11-3-12-32-60)50-68(54-71)61-33-13-4-14-34-61)83-57-69(56-82(92)84(83)88)64-47-48-79-74(55-64)72-39-19-23-43-77(72)94(79)78-44-24-20-40-73(78)87-90-85(62-35-15-5-16-36-62)89-86(91-87)63-37-17-6-18-38-63/h1-57H
• InChIKey: DDJCAGYFJSRYIJ-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.27
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 155763277) is 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4B4c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc3c54)c2)cc1.

What is the InChIKey of 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 DDJCAGYFJSRYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H57BN6/c1-7-27-58(28-8-1)65-49-66(59-29-9-2-10-30-59)52-70(51-65)92-80-45-25-21-41-75(80)88-76-42-22-26-46-81(76)93(71-53-67(60-31-11-3-12-32-60)50-68(54-71)61-33-13-4-14-34-61)83-57-69(56-82(92)84(83)88)64-47-48-79-74(55-64)72-39-19-23-43-77(72)94(79)78-44-24-20-40-73(78)87-90-85(62-35-15-5-16-36-62)89-86(91-87)63-37-17-6-18-38-63/h1-57H.

What are the key properties of 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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?

8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 1197.27 g/mol, XLogP of 20.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)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 155763277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).