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

C84H70BBrN2O4 — CID 158683529

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

2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 158683529) has the molecular formula C84H70BBrN2O4 and a molecular weight of 1262.21 g/mol. Its IUPAC name is 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
• PubChem CID: 158683529
• Molecular Formula: C84H70BBrN2O4
• Molecular Weight: 1262.21 g/mol
• Exact Mass: 1260.46
• IUPAC Name: 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
• SMILES: CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(Br)ccc21
• InChI: InChI=1S/C39H29NO.C29H28BNO2.C16H13BrO/c1-39(2)34-19-10-9-18-32(34)38(41)33-23-29(20-21-35(33)39)28-16-11-17-30(22-28)37-25-31(26-12-5-3-6-13-26)24-36(40-37)27-14-7-4-8-15-27;1-28(2)29(3,4)33-30(32-28)25-17-11-16-23(18-25)27-20-24(21-12-7-5-8-13-21)19-26(31-27)22-14-9-6-10-15-22;1-16(2)13-6-4-3-5-11(13)15(18)12-9-10(17)7-8-14(12)16/h3-25H,1-2H3;5-20H,1-4H3;3-9H,1-2H3
• InChIKey: IFLBPSMKFNTEOL-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 78.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1262.21
LogP ≤ 5	20.32
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 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?

The IUPAC name of 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 158683529) is 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

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

The canonical SMILES for 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(Br)ccc21.

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

The InChIKey is IFLBPSMKFNTEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO.C29H28BNO2.C16H13BrO/c1-39(2)34-19-10-9-18-32(34)38(41)33-23-29(20-21-35(33)39)28-16-11-17-30(22-28)37-25-31(26-12-5-3-6-13-26)24-36(40-37)27-14-7-4-8-15-27;1-28(2)29(3,4)33-30(32-28)25-17-11-16-23(18-25)27-20-24(21-12-7-5-8-13-21)19-26(31-27)22-14-9-6-10-15-22;1-16(2)13-6-4-3-5-11(13)15(18)12-9-10(17)7-8-14(12)16/h3-25H,1-2H3;5-20H,1-4H3;3-9H,1-2H3.

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

2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 1262.21 g/mol, XLogP of 20.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 158683529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).