2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine

C115H112B2BrN15O4 — CID 157318775

IUPAC2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine
SMILESBrc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(B4OC(C)(C)C(C)(C)O4)cc(B4OC(C)(C)C(C)(C)O4)c3)n2)cc1
InChIInChI=1S/C59H49N9.C41H53B2N3O4.C15H10BrN3/c1-58(2,3)45-23-19-38(20-24-45)55-66-56(39-21-25-46(26-22-39)59(4,5)6)68-57(67-55)44-32-40(42-34-51(47-15-7-11-27-60-47)64-52(35-42)48-16-8-12-28-61-48)31-41(33-44)43-36-53(49-17-9-13-29-62-49)65-54(37-43)50-18-10-14-30-63-50;1-36(2,3)29-19-15-26(16-20-29)33-44-34(27-17-21-30(22-18-27)37(4,5)6)46-35(45-33)28-23-31(42-47-38(7,8)39(9,10)48-42)25-32(24-28)43-49-40(11,12)41(13,14)50-43;16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h7-37H,1-6H3;15-25H,1-14H3;1-10H
InChIKeyBDXMRASKIISNRA-UHFFFAOYSA-N
MW1869.79 g/mol
LogP25.87
Rot. Bonds16

About 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine

2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine (PubChem CID 157318775) has the molecular formula C115H112B2BrN15O4 and a molecular weight of 1869.79 g/mol. Its IUPAC name is 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine
PubChem CID157318775
Molecular FormulaC115H112B2BrN15O4
Molecular Weight1869.79 g/mol
Exact Mass1867.84
IUPAC Name2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine
SMILESBrc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(B4OC(C)(C)C(C)(C)O4)cc(B4OC(C)(C)C(C)(C)O4)c3)n2)cc1
InChIInChI=1S/C59H49N9.C41H53B2N3O4.C15H10BrN3/c1-58(2,3)45-23-19-38(20-24-45)55-66-56(39-21-25-46(26-22-39)59(4,5)6)68-57(67-55)44-32-40(42-34-51(47-15-7-11-27-60-47)64-52(35-42)48-16-8-12-28-61-48)31-41(33-44)43-36-53(49-17-9-13-29-62-49)65-54(37-43)50-18-10-14-30-63-50;1-36(2,3)29-19-15-26(16-20-29)33-44-34(27-17-21-30(22-18-27)37(4,5)6)46-35(45-33)28-23-31(42-47-38(7,8)39(9,10)48-42)25-32(24-28)43-49-40(11,12)41(13,14)50-43;16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h7-37H,1-6H3;15-25H,1-14H3;1-10H
InChIKeyBDXMRASKIISNRA-UHFFFAOYSA-N
XLogP25.87
TPSA230.27 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.79
LogP ≤ 525.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine
CID 158678440
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
2,4-bis(4-tert-butylphenyl)-6-[6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 58280815
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 159280875
2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 158198185
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,6-diphenylpyridine
CID 70847694
2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]phenyl]pyridine
CID 165149100
2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 67985698
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-phenylpyridine
CID 153482659
2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 151939850

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine (CID 157318775) is 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine is Brc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(B4OC(C)(C)C(C)(C)O4)cc(B4OC(C)(C)C(C)(C)O4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine?
The InChIKey is BDXMRASKIISNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N9.C41H53B2N3O4.C15H10BrN3/c1-58(2,3)45-23-19-38(20-24-45)55-66-56(39-21-25-46(26-22-39)59(4,5)6)68-57(67-55)44-32-40(42-34-51(47-15-7-11-27-60-47)64-52(35-42)48-16-8-12-28-61-48)31-41(33-44)43-36-53(49-17-9-13-29-62-49)65-54(37-43)50-18-10-14-30-63-50;1-36(2,3)29-19-15-26(16-20-29)33-44-34(27-17-21-30(22-18-27)37(4,5)6)46-35(45-33)28-23-31(42-47-38(7,8)39(9,10)48-42)25-32(24-28)43-49-40(11,12)41(13,14)50-43;16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h7-37H,1-6H3;15-25H,1-14H3;1-10H.
What are the key properties of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine?
2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine has a molecular weight of 1869.79 g/mol, XLogP of 25.87, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 157318775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).