5-[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]-[1]benzofuro[3,2-c]carbazole

C75H47BN6O — CID 155785503

About 5-[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]-[1]benzofuro[3,2-c]carbazole

5-[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]-[1]benzofuro[3,2-c]carbazole (PubChem CID 155785503) has the molecular formula C75H47BN6O and a molecular weight of 1059.05 g/mol. Its IUPAC name is 5-[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]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[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]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 155785503
• Molecular Formula: C75H47BN6O
• Molecular Weight: 1059.05 g/mol
• Exact Mass: 1058.39
• IUPAC Name: 5-[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]-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)c5)c4)c3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1
• InChI: InChI=1S/C75H47BN6O/c1-4-22-48(23-5-1)73-77-74(49-24-6-2-7-25-49)79-75(78-73)59-35-20-34-55(71(59)82-62-38-14-10-33-58(62)69-65(82)45-44-57-56-32-11-17-43-68(56)83-72(57)69)52-28-18-26-50(46-52)51-27-19-31-54(47-51)81-64-40-16-13-37-61(64)76-60-36-12-15-39-63(60)80(53-29-8-3-9-30-53)66-41-21-42-67(81)70(66)76/h1-47H
• InChIKey: FJWAMOIWHLGJAL-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.05
LogP ≤ 5	17.29
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 5-[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]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[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]-[1]benzofuro[3,2-c]carbazole (CID 155785503) is 5-[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]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[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]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[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]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)c5)c4)c3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.

What is the InChIKey of 5-[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]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is FJWAMOIWHLGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47BN6O/c1-4-22-48(23-5-1)73-77-74(49-24-6-2-7-25-49)79-75(78-73)59-35-20-34-55(71(59)82-62-38-14-10-33-58(62)69-65(82)45-44-57-56-32-11-17-43-68(56)83-72(57)69)52-28-18-26-50(46-52)51-27-19-31-54(47-51)81-64-40-16-13-37-61(64)76-60-36-12-15-39-63(60)80(53-29-8-3-9-30-53)66-41-21-42-67(81)70(66)76/h1-47H.

What are the key properties of 5-[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]-[1]benzofuro[3,2-c]carbazole?

5-[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]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1059.05 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[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]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155785503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).