8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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

C78H53BN6 — CID 155785492

About 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 155785492) has the molecular formula C78H53BN6 and a molecular weight of 1085.14 g/mol. Its IUPAC name is 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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: 155785492
• Molecular Formula: C78H53BN6
• Molecular Weight: 1085.14 g/mol
• Exact Mass: 1084.44
• IUPAC Name: 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)cccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
• InChI: InChI=1S/C78H53BN6/c1-78(2)63-38-14-12-34-58(63)61-48-62-59-35-13-17-41-67(59)85(72(62)49-64(61)78)74-57(36-22-37-60(74)77-81-75(50-24-6-3-7-25-50)80-76(82-77)51-26-8-4-9-27-51)54-30-20-28-52(46-54)53-29-21-33-56(47-53)84-69-43-19-16-40-66(69)79-65-39-15-18-42-68(65)83(55-31-10-5-11-32-55)70-44-23-45-71(84)73(70)79/h3-49H,1-2H3
• InChIKey: GKHOGBOCDQCRLE-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.14
LogP ≤ 5	17.69
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-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 155785492) is 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)cccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.

What is the InChIKey of 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 GKHOGBOCDQCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53BN6/c1-78(2)63-38-14-12-34-58(63)61-48-62-59-35-13-17-41-67(59)85(72(62)49-64(61)78)74-57(36-22-37-60(74)77-81-75(50-24-6-3-7-25-50)80-76(82-77)51-26-8-4-9-27-51)54-30-20-28-52(46-54)53-29-21-33-56(47-53)84-69-43-19-16-40-66(69)79-65-39-15-18-42-68(65)83(55-31-10-5-11-32-55)70-44-23-45-71(84)73(70)79/h3-49H,1-2H3.

What are the key properties of 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 1085.14 g/mol, XLogP of 17.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 155785492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).