3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine

C96H78BBrN2O4 — CID 159242967

About 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine

3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine (PubChem CID 159242967) has the molecular formula C96H78BBrN2O4 and a molecular weight of 1414.41 g/mol. Its IUPAC name is 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
• PubChem CID: 159242967
• Molecular Formula: C96H78BBrN2O4
• Molecular Weight: 1414.41 g/mol
• Exact Mass: 1412.52
• IUPAC Name: 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
• SMILES: CC1(C)OB(c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c2)OC1(C)C.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(Br)cc21
• InChI: InChI=1S/C45H33NO.C35H32BNO2.C16H13BrO/c1-45(2)40-22-10-9-21-38(40)44(47)39-24-23-36(27-41(39)45)34-19-11-17-32(25-34)33-18-12-20-35(26-33)37-28-42(30-13-5-3-6-14-30)46-43(29-37)31-15-7-4-8-16-31;1-34(2)35(3,4)39-36(38-34)31-20-12-19-29(22-31)27-17-11-18-28(21-27)30-23-32(25-13-7-5-8-14-25)37-33(24-30)26-15-9-6-10-16-26;1-16(2)13-6-4-3-5-11(13)15(18)12-8-7-10(17)9-14(12)16/h3-29H,1-2H3;5-24H,1-4H3;3-9H,1-2H3
• InChIKey: KUIBSUCKHBEXEG-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 78.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1414.41
LogP ≤ 5	23.66
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 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?

The IUPAC name of 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine (CID 159242967) is 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine.

What is the SMILES notation for 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?

The canonical SMILES for 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine is CC1(C)OB(c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c2)OC1(C)C.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(Br)cc21.

What is the InChIKey of 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?

The InChIKey is KUIBSUCKHBEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO.C35H32BNO2.C16H13BrO/c1-45(2)40-22-10-9-21-38(40)44(47)39-24-23-36(27-41(39)45)34-19-11-17-32(25-34)33-18-12-20-35(26-33)37-28-42(30-13-5-3-6-14-30)46-43(29-37)31-15-7-4-8-16-31;1-34(2)35(3,4)39-36(38-34)31-20-12-19-29(22-31)27-17-11-18-28(21-27)30-23-32(25-13-7-5-8-14-25)37-33(24-30)26-15-9-6-10-16-26;1-16(2)13-6-4-3-5-11(13)15(18)12-8-7-10(17)9-14(12)16/h3-29H,1-2H3;5-24H,1-4H3;3-9H,1-2H3.

What are the key properties of 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?

3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine has a molecular weight of 1414.41 g/mol, XLogP of 23.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-10,10-dimethylanthracen-9-one;3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2,6-diphenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 159242967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).