11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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 169024794

About 11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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 169024794) has the molecular formula C88H58BN5 and a molecular weight of 1196.28 g/mol. Its IUPAC name is 11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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: 169024794
• Molecular Formula: C88H58BN5
• Molecular Weight: 1196.28 g/mol
• Exact Mass: 1195.48
• IUPAC Name: 11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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(-c2ccc3c(c2)B2c4cc(-c5ccccc5)ccc4N(c4c(-c5ccccc5)cncc4-c4ccccc4)c4cc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)cc(c42)N3c2c(-c3ccccc3)cncc2-c2ccccc2)cc1
• InChI: InChI=1S/C88H58BN5/c1-9-25-59(26-10-1)67-43-47-80-78(49-67)89-79-50-68(60-27-11-2-12-28-60)44-48-81(79)94(88-76(65-37-21-7-22-38-65)57-91-58-77(88)66-39-23-8-24-40-66)85-54-71(53-84(86(85)89)93(80)87-74(63-33-17-5-18-34-63)55-90-56-75(87)64-35-19-6-20-36-64)92-82-51-69(61-29-13-3-14-30-61)41-45-72(82)73-46-42-70(52-83(73)92)62-31-15-4-16-32-62/h1-58H
• InChIKey: UWXNBONRPQOHSN-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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 169024794) is 11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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(-c2ccc3c(c2)B2c4cc(-c5ccccc5)ccc4N(c4c(-c5ccccc5)cncc4-c4ccccc4)c4cc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)cc(c42)N3c2c(-c3ccccc3)cncc2-c2ccccc2)cc1.

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

What are the key properties of 11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenyl-4-pyridinyl)-4,18-diphenyl-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 169024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).