2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C107H100B3BrClN9O6 — CID 158284482

About 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158284482) has the molecular formula C107H100B3BrClN9O6 and a molecular weight of 1755.83 g/mol. Its IUPAC name is 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158284482
• Molecular Formula: C107H100B3BrClN9O6
• Molecular Weight: 1755.83 g/mol
• Exact Mass: 1753.69
• IUPAC Name: 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1c2ccccc2c(-c2ccccn2)c2ccccc12.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2c3ccccc3c(-c3ccccn3)c3ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C34H22N4.C25H24BNO2.C19H12BrN.C15H10ClN3.C12H24B2O4.2CH4/c1-3-13-23(14-4-1)32-36-33(24-15-5-2-6-16-24)38-34(37-32)31-27-19-9-7-17-25(27)30(29-21-11-12-22-35-29)26-18-8-10-20-28(26)31;1-24(2)25(3,4)29-26(28-24)23-19-13-7-5-11-17(19)22(21-15-9-10-16-27-21)18-12-6-8-14-20(18)23;20-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;;/h1-22H;5-16H,1-4H3;1-12H;1-10H;1-8H3;2*1H4
• InChIKey: GKPMRSWDIQCBSK-UHFFFAOYSA-N
• XLogP: 26.79
• TPSA: 171.39 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.83
LogP ≤ 5	26.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158284482) is 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1c2ccccc2c(-c2ccccn2)c2ccccc12.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2c3ccccc3c(-c3ccccn3)c3ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)n2)cc1.

What is the InChIKey of 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GKPMRSWDIQCBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4.C25H24BNO2.C19H12BrN.C15H10ClN3.C12H24B2O4.2CH4/c1-3-13-23(14-4-1)32-36-33(24-15-5-2-6-16-24)38-34(37-32)31-27-19-9-7-17-25(27)30(29-21-11-12-22-35-29)26-18-8-10-20-28(26)31;1-24(2)25(3,4)29-26(28-24)23-19-13-7-5-11-17(19)22(21-15-9-10-16-27-21)18-12-6-8-14-20(18)23;20-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;;/h1-22H;5-16H,1-4H3;1-12H;1-10H;1-8H3;2*1H4.

What are the key properties of 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1755.83 g/mol, XLogP of 26.79, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-bromoanthracen-9-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(10-pyridin-2-ylanthracen-9-yl)-1,3,5-triazine;methane;2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158284482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).