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

C123H96B2BrN15O4 — CID 158678440

IUPAC2-[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
SMILESBrc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C63H41N9.C45H45B2N3O4.C15H10BrN3/c1-3-15-42(16-4-1)44-23-27-46(28-24-44)61-70-62(47-29-25-45(26-30-47)43-17-5-2-6-18-43)72-63(71-61)52-36-48(50-38-57(53-19-7-11-31-64-53)68-58(39-50)54-20-8-12-32-65-54)35-49(37-52)51-40-59(55-21-9-13-33-66-55)69-60(41-51)56-22-10-14-34-67-56;1-42(2)43(3,4)52-46(51-42)37-27-36(28-38(29-37)47-53-44(5,6)45(7,8)54-47)41-49-39(34-23-19-32(20-24-34)30-15-11-9-12-16-30)48-40(50-41)35-25-21-33(22-26-35)31-17-13-10-14-18-31;16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-41H;9-29H,1-8H3;1-10H
InChIKeyIEUWKLUWECQPNG-UHFFFAOYSA-N
MW1949.75 g/mol
LogP27.35
Rot. Bonds20

About 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

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 (PubChem CID 158678440) has the molecular formula C123H96B2BrN15O4 and a molecular weight of 1949.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158678440
Molecular FormulaC123H96B2BrN15O4
Molecular Weight1949.75 g/mol
Exact Mass1947.71
IUPAC Name2-[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
SMILESBrc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C63H41N9.C45H45B2N3O4.C15H10BrN3/c1-3-15-42(16-4-1)44-23-27-46(28-24-44)61-70-62(47-29-25-45(26-30-47)43-17-5-2-6-18-43)72-63(71-61)52-36-48(50-38-57(53-19-7-11-31-64-53)68-58(39-50)54-20-8-12-32-65-54)35-49(37-52)51-40-59(55-21-9-13-33-66-55)69-60(41-51)56-22-10-14-34-67-56;1-42(2)43(3,4)52-46(51-42)37-27-36(28-38(29-37)47-53-44(5,6)45(7,8)54-47)41-49-39(34-23-19-32(20-24-34)30-15-11-9-12-16-30)48-40(50-41)35-25-21-33(22-26-35)31-17-13-10-14-18-31;16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-41H;9-29H,1-8H3;1-10H
InChIKeyIEUWKLUWECQPNG-UHFFFAOYSA-N
XLogP27.35
TPSA230.27 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.75
LogP ≤ 527.35
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-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 with MolForge

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Related Compounds

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
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-(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
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
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
4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,6-diphenylpyridine
CID 70847694
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 67985698
2-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140863932
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589
2-(3,5-diphenylphenyl)-4-phenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838593

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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IEUWKLUWECQPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N9.C45H45B2N3O4.C15H10BrN3/c1-3-15-42(16-4-1)44-23-27-46(28-24-44)61-70-62(47-29-25-45(26-30-47)43-17-5-2-6-18-43)72-63(71-61)52-36-48(50-38-57(53-19-7-11-31-64-53)68-58(39-50)54-20-8-12-32-65-54)35-49(37-52)51-40-59(55-21-9-13-33-66-55)69-60(41-51)56-22-10-14-34-67-56;1-42(2)43(3,4)52-46(51-42)37-27-36(28-38(29-37)47-53-44(5,6)45(7,8)54-47)41-49-39(34-23-19-32(20-24-34)30-15-11-9-12-16-30)48-40(50-41)35-25-21-33(22-26-35)31-17-13-10-14-18-31;16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-41H;9-29H,1-8H3;1-10H.
What are the key properties of 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?
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 has a molecular weight of 1949.75 g/mol, XLogP of 27.35, 20 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-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 is sourced from PubChem (CID 158678440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).