4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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

C108H90BN5 — CID 170546681

About 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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

4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 170546681) has the molecular formula C108H90BN5 and a molecular weight of 1468.75 g/mol. Its IUPAC name is 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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: 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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: 170546681
• Molecular Formula: C108H90BN5
• Molecular Weight: 1468.75 g/mol
• Exact Mass: 1467.73
• IUPAC Name: 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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: CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(-n5c6c(N7c8ccccc8C8(c9ccccc9-c9ccccc98)c8ccccc87)cccc6c6cccc(N7c8ccccc8C8(c9ccccc9-c9ccccc98)c8ccccc87)c65)cc2c43)cc1
• InChI: InChI=1S/C108H90BN5/c1-103(2,3)67-51-57-71(58-52-67)110-94-61-55-69(105(7,8)9)63-88(94)109-89-64-70(106(10,11)12)56-62-95(89)111(72-59-53-68(54-60-72)104(4,5)6)99-66-73(65-98(110)100(99)109)112-101-78(35-29-49-96(101)113-90-45-25-21-41-84(90)107(85-42-22-26-46-91(85)113)80-37-17-13-31-74(80)75-32-14-18-38-81(75)107)79-36-30-50-97(102(79)112)114-92-47-27-23-43-86(92)108(87-44-24-28-48-93(87)114)82-39-19-15-33-76(82)77-34-16-20-40-83(77)108/h13-66H,1-12H3
• InChIKey: FBBHMXGQUPOSDP-UHFFFAOYSA-N
• XLogP: 26.35
• TPSA: 17.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1468.75
LogP ≤ 5	26.35
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 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 170546681) is 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(-n5c6c(N7c8ccccc8C8(c9ccccc9-c9ccccc98)c8ccccc87)cccc6c6cccc(N7c8ccccc8C8(c9ccccc9-c9ccccc98)c8ccccc87)c65)cc2c43)cc1.

What is the InChIKey of 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 FBBHMXGQUPOSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H90BN5/c1-103(2,3)67-51-57-71(58-52-67)110-94-61-55-69(105(7,8)9)63-88(94)109-89-64-70(106(10,11)12)56-62-95(89)111(72-59-53-68(54-60-72)104(4,5)6)99-66-73(65-98(110)100(99)109)112-101-78(35-29-49-96(101)113-90-45-25-21-41-84(90)107(85-42-22-26-46-91(85)113)80-37-17-13-31-74(80)75-32-14-18-38-81(75)107)79-36-30-50-97(102(79)112)114-92-47-27-23-43-86(92)108(87-44-24-28-48-93(87)114)82-39-19-15-33-76(82)77-34-16-20-40-83(77)108/h13-66H,1-12H3.

What are the key properties of 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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?

4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 1468.75 g/mol, XLogP of 26.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-[1,8-di(spiro[acridine-9,9'-fluorene]-10-yl)carbazol-9-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 170546681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).