8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-4,18-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(20),16,18-nonaene

C99H65BN6 — CID 155763415

About 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-4,18-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(20),16,18-nonaene

8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-4,18-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(20),16,18-nonaene (PubChem CID 155763415) has the molecular formula C99H65BN6 and a molecular weight of 1349.46 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]-4,18-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(20),16,18-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]-4,18-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(20),16,18-nonaene
• PubChem CID: 155763415
• Molecular Formula: C99H65BN6
• Molecular Weight: 1349.46 g/mol
• Exact Mass: 1348.54
• IUPAC Name: 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-4,18-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(20),16,18-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccc(-c5ccccc5)cc4B4c5cc(-c6ccccc6)ccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc3c54)c2)cc1
• InChI: InChI=1S/C99H65BN6/c1-9-29-66(30-10-1)75-50-53-92-87(62-75)100-88-63-76(67-31-11-2-12-32-67)51-54-93(88)105(83-59-79(70-37-17-5-18-38-70)56-80(60-83)71-39-19-6-20-40-71)95-65-81(64-94(96(95)100)104(92)82-57-77(68-33-13-3-14-34-68)55-78(58-82)69-35-15-4-16-36-69)74-49-52-91-86(61-74)84-45-25-27-47-89(84)106(91)90-48-28-26-46-85(90)99-102-97(72-41-21-7-22-42-72)101-98(103-99)73-43-23-8-24-44-73/h1-65H
• InChIKey: WHNFSBPLSWDWML-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1349.46
LogP ≤ 5	23.72
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]-4,18-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(20),16,18-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]-4,18-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(20),16,18-nonaene (CID 155763415) is 8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-4,18-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(20),16,18-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]-4,18-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(20),16,18-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]-4,18-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(20),16,18-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccc(-c5ccccc5)cc4B4c5cc(-c6ccccc6)ccc5N(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]-4,18-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(20),16,18-nonaene?

The InChIKey is WHNFSBPLSWDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H65BN6/c1-9-29-66(30-10-1)75-50-53-92-87(62-75)100-88-63-76(67-31-11-2-12-32-67)51-54-93(88)105(83-59-79(70-37-17-5-18-38-70)56-80(60-83)71-39-19-6-20-40-71)95-65-81(64-94(96(95)100)104(92)82-57-77(68-33-13-3-14-34-68)55-78(58-82)69-35-15-4-16-36-69)74-49-52-91-86(61-74)84-45-25-27-47-89(84)106(91)90-48-28-26-46-85(90)99-102-97(72-41-21-7-22-42-72)101-98(103-99)73-43-23-8-24-44-73/h1-65H.

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]-4,18-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(20),16,18-nonaene?

8,14-bis(3,5-diphenylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-4,18-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(20),16,18-nonaene has a molecular weight of 1349.46 g/mol, XLogP of 23.72, 13 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]-4,18-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(20),16,18-nonaene is sourced from PubChem (CID 155763415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).