9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine

C81H54BN7 — CID 155785613

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 155785613) has the molecular formula C81H54BN7 and a molecular weight of 1136.18 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
• PubChem CID: 155785613
• Molecular Formula: C81H54BN7
• Molecular Weight: 1136.18 g/mol
• Exact Mass: 1135.45
• IUPAC Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)c5)c4)c3-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1
• InChI: InChI=1S/C81H54BN7/c1-6-26-55(27-7-1)79-83-80(56-28-8-2-9-29-56)85-81(84-79)67-42-24-41-65(78(67)89-71-45-19-16-40-66(71)68-54-64(50-51-72(68)89)86(60-33-10-3-11-34-60)61-35-12-4-13-36-61)59-32-22-30-57(52-59)58-31-23-39-63(53-58)88-74-47-21-18-44-70(74)82-69-43-17-20-46-73(69)87(62-37-14-5-15-38-62)75-48-25-49-76(88)77(75)82/h1-54H
• InChIKey: INSXWVVHYYEPGD-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 53.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.18
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?

The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 155785613) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)c5)c4)c3-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1.

What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?

The InChIKey is INSXWVVHYYEPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54BN7/c1-6-26-55(27-7-1)79-83-80(56-28-8-2-9-29-56)85-81(84-79)67-42-24-41-65(78(67)89-71-45-19-16-40-66(71)68-54-64(50-51-72(68)89)86(60-33-10-3-11-34-60)61-35-12-4-13-36-61)59-32-22-30-57(52-59)58-31-23-39-63(53-58)88-74-47-21-18-44-70(74)82-69-43-17-20-46-73(69)87(62-37-14-5-15-38-62)75-48-25-49-76(88)77(75)82/h1-54H.

What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 1136.18 g/mol, XLogP of 18.86, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-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-8-yl)phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 155785613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).