5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C102H65BN6 — CID 174136670

About 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 174136670) has the molecular formula C102H65BN6 and a molecular weight of 1385.50 g/mol. Its IUPAC name is 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• PubChem CID: 174136670
• Molecular Formula: C102H65BN6
• Molecular Weight: 1385.50 g/mol
• Exact Mass: 1384.54
• IUPAC Name: 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)c2)cc1
• InChI: InChI=1S/C102H65BN6/c1-5-28-66(29-6-1)70-58-71(67-30-7-2-8-31-67)60-75(59-70)108-97-62-73(105-91-47-22-15-38-81(91)82-39-16-23-48-92(82)105)52-55-87(97)103-88-56-53-74(106-95-51-26-19-42-85(95)86-61-72(54-57-96(86)106)104-89-45-20-13-36-79(89)80-37-14-21-46-90(80)104)63-98(88)109(102-77(68-32-9-3-10-33-68)43-27-44-78(102)69-34-11-4-12-35-69)100-65-76(64-99(108)101(100)103)107-93-49-24-17-40-83(93)84-41-18-25-50-94(84)107/h1-65H
• InChIKey: OERHKFWURKNCRD-UHFFFAOYSA-N
• XLogP: 24.83
• TPSA: 26.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1385.50
LogP ≤ 5	24.83
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 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 174136670) is 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)c2)cc1.

What is the InChIKey of 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The InChIKey is OERHKFWURKNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H65BN6/c1-5-28-66(29-6-1)70-58-71(67-30-7-2-8-31-67)60-75(59-70)108-97-62-73(105-91-47-22-15-38-81(91)82-39-16-23-48-92(82)105)52-55-87(97)103-88-56-53-74(106-95-51-26-19-42-85(95)86-61-72(54-57-96(86)106)104-89-45-20-13-36-79(89)80-37-14-21-46-90(80)104)63-98(88)109(102-77(68-32-9-3-10-33-68)43-27-44-78(102)69-34-11-4-12-35-69)100-65-76(64-99(108)101(100)103)107-93-49-24-17-40-83(93)84-41-18-25-50-94(84)107/h1-65H.

What are the key properties of 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 1385.50 g/mol, XLogP of 24.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-di(carbazol-9-yl)-17-(3-carbazol-9-ylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 174136670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).