14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine

C108H88BN5 — CID 174136730

About 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine

14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine (PubChem CID 174136730) has the molecular formula C108H88BN5 and a molecular weight of 1466.74 g/mol. Its IUPAC name is 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine.

Molecular Properties

• Compound Name: 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine
• PubChem CID: 174136730
• Molecular Formula: C108H88BN5
• Molecular Weight: 1466.74 g/mol
• Exact Mass: 1465.71
• IUPAC Name: 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine
• SMILES: CC(C)(C)c1cc(-c2cc3c4c(c2)N(c2c(-c5ccccc5)cc(C(C)(C)C)cc2-c2ccccc2)c2cc(-n5c6ccccc6c6ccccc65)ccc2B4c2ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2N3c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C108H88BN5/c1-106(2,3)79-60-77(61-80(66-79)107(4,5)6)78-64-102-104-103(65-78)114(105-92(73-37-19-12-20-38-73)67-81(108(7,8)9)68-93(105)74-39-21-13-22-40-74)101-70-86(112-98-49-31-27-45-90(98)91-46-28-32-50-99(91)112)56-58-95(101)109(104)94-57-55-85(69-100(94)113(102)87-62-75(71-33-15-10-16-34-71)59-76(63-87)72-35-17-11-18-36-72)110(82-41-23-14-24-42-82)83-51-53-84(54-52-83)111-96-47-29-25-43-88(96)89-44-26-30-48-97(89)111/h10-70H,1-9H3
• InChIKey: ARSROTLGIKYBNB-UHFFFAOYSA-N
• XLogP: 27.66
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1466.74
LogP ≤ 5	27.66
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 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine?

The IUPAC name of 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine (CID 174136730) is 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine.

What is the SMILES notation for 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine?

The canonical SMILES for 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine is CC(C)(C)c1cc(-c2cc3c4c(c2)N(c2c(-c5ccccc5)cc(C(C)(C)C)cc2-c2ccccc2)c2cc(-n5c6ccccc6c6ccccc65)ccc2B4c2ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2N3c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1.

What is the InChIKey of 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine?

The InChIKey is ARSROTLGIKYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H88BN5/c1-106(2,3)79-60-77(61-80(66-79)107(4,5)6)78-64-102-104-103(65-78)114(105-92(73-37-19-12-20-38-73)67-81(108(7,8)9)68-93(105)74-39-21-13-22-40-74)101-70-86(112-98-49-31-27-45-90(98)91-46-28-32-50-99(91)112)56-58-95(101)109(104)94-57-55-85(69-100(94)113(102)87-62-75(71-33-15-10-16-34-71)59-76(63-87)72-35-17-11-18-36-72)110(82-41-23-14-24-42-82)83-51-53-84(54-52-83)111-96-47-29-25-43-88(96)89-44-26-30-48-97(89)111/h10-70H,1-9H3.

What are the key properties of 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine?

14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine has a molecular weight of 1466.74 g/mol, XLogP of 27.66, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-tert-butyl-2,6-diphenylphenyl)-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-11-(3,5-ditert-butylphenyl)-8-(3,5-diphenylphenyl)-N-phenyl-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-nonaen-5-amine is sourced from PubChem (CID 174136730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).