9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine

C84H54BN — CID 164709122

About 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine

9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine (PubChem CID 164709122) has the molecular formula C84H54BN and a molecular weight of 1088.18 g/mol. Its IUPAC name is 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine.

Molecular Properties

• Compound Name: 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine
• PubChem CID: 164709122
• Molecular Formula: C84H54BN
• Molecular Weight: 1088.18 g/mol
• Exact Mass: 1087.43
• IUPAC Name: 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine
• SMILES: c1ccc(-c2cccc3c2B(c2ccc4c(c2)-c2ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc2C42c4ccccc4-c4ccccc42)c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C84H54BN/c1-6-27-55(28-7-1)62-41-26-42-68-80-78(56-29-8-2-9-30-56)66-39-16-17-40-67(66)79(57-31-10-3-11-32-57)82(80)85(81(62)68)60-49-52-72-69(53-60)65-51-50-61(54-75(65)84(72)70-43-20-18-37-63(70)64-38-19-21-44-71(64)84)86-76-47-24-22-45-73(76)83(58-33-12-4-13-34-58,59-35-14-5-15-36-59)74-46-23-25-48-77(74)86/h1-54H
• InChIKey: QPCLNNZMHPMALC-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1088.18
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine?

The IUPAC name of 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine (CID 164709122) is 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine.

What is the SMILES notation for 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine?

The canonical SMILES for 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine is c1ccc(-c2cccc3c2B(c2ccc4c(c2)-c2ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc2C42c4ccccc4-c4ccccc42)c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.

What is the InChIKey of 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine?

The InChIKey is QPCLNNZMHPMALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54BN/c1-6-27-55(28-7-1)62-41-26-42-68-80-78(56-29-8-2-9-30-56)66-39-16-17-40-67(66)79(57-31-10-3-11-32-57)82(80)85(81(62)68)60-49-52-72-69(53-60)65-51-50-61(54-75(65)84(72)70-43-20-18-37-63(70)64-38-19-21-44-71(64)84)86-76-47-24-22-45-73(76)83(58-33-12-4-13-34-58,59-35-14-5-15-36-59)74-46-23-25-48-77(74)86/h1-54H.

What are the key properties of 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine?

9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine has a molecular weight of 1088.18 g/mol, XLogP of 18.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine is sourced from PubChem (CID 164709122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).