11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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

C88H58BN5 — CID 170529869

About 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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

11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 170529869) has the molecular formula C88H58BN5 and a molecular weight of 1196.28 g/mol. Its IUPAC name is 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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: 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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: 170529869
• Molecular Formula: C88H58BN5
• Molecular Weight: 1196.28 g/mol
• Exact Mass: 1195.48
• IUPAC Name: 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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(-c2ccc(-c3ccc4c(c3)B3c5cc(-c6ccc(-c7ccccc7)nc6)ccc5N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc(c53)N4c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)cc1
• InChI: InChI=1S/C88H58BN5/c1-7-25-59(26-8-1)70-39-23-40-71(60-27-9-2-10-28-60)87(70)93-82-51-47-65(67-45-49-78(90-57-67)63-33-15-5-16-34-63)53-76(82)89-77-54-66(68-46-50-79(91-58-68)64-35-17-6-18-36-64)48-52-83(77)94(88-72(61-29-11-3-12-30-61)41-24-42-73(88)62-31-13-4-14-32-62)85-56-69(55-84(93)86(85)89)92-80-43-21-19-37-74(80)75-38-20-22-44-81(75)92/h1-58H
• InChIKey: RUJMECXVZCLISG-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.28
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 170529869) is 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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(-c2ccc(-c3ccc4c(c3)B3c5cc(-c6ccc(-c7ccccc7)nc6)ccc5N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc(c53)N4c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)cc1.

What is the InChIKey of 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 RUJMECXVZCLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H58BN5/c1-7-25-59(26-8-1)70-39-23-40-71(60-27-9-2-10-28-60)87(70)93-82-51-47-65(67-45-49-78(90-57-67)63-33-15-5-16-34-63)53-76(82)89-77-54-66(68-46-50-79(91-58-68)64-35-17-6-18-36-64)48-52-83(77)94(88-72(61-29-11-3-12-30-61)41-24-42-73(88)62-31-13-4-14-32-62)85-56-69(55-84(93)86(85)89)92-80-43-21-19-37-74(80)75-38-20-22-44-81(75)92/h1-58H.

What are the key properties of 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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?

11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 1196.28 g/mol, XLogP of 20.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(6-phenyl-3-pyridinyl)-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 170529869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).