5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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

C102H66BN5 — CID 174061461

About 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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

5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 174061461) has the molecular formula C102H66BN5 and a molecular weight of 1372.50 g/mol. Its IUPAC name is 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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: 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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: 174061461
• Molecular Formula: C102H66BN5
• Molecular Weight: 1372.50 g/mol
• Exact Mass: 1371.54
• IUPAC Name: 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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(-c2cccc(-c3ccccc3)c2N2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc2c43)cc1
• InChI: InChI=1S/C102H66BN5/c1-7-29-67(30-8-1)78-45-27-46-79(68-31-9-2-10-32-68)101(78)107-96-63-73(71-54-59-94-86(61-71)84-43-21-25-51-92(84)104(94)75-37-15-5-16-38-75)53-57-88(96)103-89-58-56-77(106-90-49-23-19-41-82(90)83-42-20-24-50-91(83)106)66-97(89)108(102-80(69-33-11-3-12-34-69)47-28-48-81(102)70-35-13-4-14-36-70)99-65-74(64-98(107)100(99)103)72-55-60-95-87(62-72)85-44-22-26-52-93(85)105(95)76-39-17-6-18-40-76/h1-66H
• InChIKey: HTJANHOXJSCRRI-UHFFFAOYSA-N
• XLogP: 25.06
• TPSA: 21.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1372.50
LogP ≤ 5	25.06
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 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 174061461) is 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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(-c2cccc(-c3ccccc3)c2N2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc2c43)cc1.

What is the InChIKey of 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 HTJANHOXJSCRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H66BN5/c1-7-29-67(30-8-1)78-45-27-46-79(68-31-9-2-10-32-68)101(78)107-96-63-73(71-54-59-94-86(61-71)84-43-21-25-51-92(84)104(94)75-37-15-5-16-38-75)53-57-88(96)103-89-58-56-77(106-90-49-23-19-41-82(90)83-42-20-24-50-91(83)106)66-97(89)108(102-80(69-33-11-3-12-34-69)47-28-48-81(102)70-35-13-4-14-36-70)99-65-74(64-98(107)100(99)103)72-55-60-95-87(62-72)85-44-22-26-52-93(85)105(95)76-39-17-6-18-40-76/h1-66H.

What are the key properties of 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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?

5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 1372.50 g/mol, XLogP of 25.06, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-8,14-bis(2,6-diphenylphenyl)-11,17-bis(9-phenylcarbazol-3-yl)-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 174061461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).