8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene

C79H51BN8 — CID 155785387

About 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene

8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene (PubChem CID 155785387) has the molecular formula C79H51BN8 and a molecular weight of 1123.14 g/mol. Its IUPAC name is 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene.

Molecular Properties

• Compound Name: 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene
• PubChem CID: 155785387
• Molecular Formula: C79H51BN8
• Molecular Weight: 1123.14 g/mol
• Exact Mass: 1122.43
• IUPAC Name: 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)n4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C79H51BN8/c1-5-24-52(25-6-1)66-51-67(82-76(81-66)53-26-7-2-8-27-53)57-46-47-70(88-68-40-17-13-36-61(68)62-37-14-18-41-69(62)88)63(50-57)79-84-77(54-28-9-3-10-29-54)83-78(85-79)58-32-21-30-55(48-58)56-31-22-35-60(49-56)87-72-43-20-16-39-65(72)80-64-38-15-19-42-71(64)86(59-33-11-4-12-34-59)73-44-23-45-74(87)75(73)80/h1-51H
• InChIKey: RFVIFNZEBJIIBW-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 75.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.14
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene?

The IUPAC name of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene (CID 155785387) is 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene.

What is the SMILES notation for 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene?

The canonical SMILES for 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)n4)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene?

The InChIKey is RFVIFNZEBJIIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51BN8/c1-5-24-52(25-6-1)66-51-67(82-76(81-66)53-26-7-2-8-27-53)57-46-47-70(88-68-40-17-13-36-61(68)62-37-14-18-41-69(62)88)63(50-57)79-84-77(54-28-9-3-10-29-54)83-78(85-79)58-32-21-30-55(48-58)56-31-22-35-60(49-56)87-72-43-20-16-39-65(72)80-64-38-15-19-42-71(64)86(59-33-11-4-12-34-59)73-44-23-45-74(87)75(73)80/h1-51H.

What are the key properties of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene?

8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene has a molecular weight of 1123.14 g/mol, XLogP of 17.51, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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-nonaene is sourced from PubChem (CID 155785387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).