2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

C101H76BBr2N7O2 — CID 158207439

IUPAC2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccn3)c2)OC1(C)C.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccn5)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc(-c3ccccn3)c2)cc1
InChIInChI=1S/C56H38N4.C23H24BNO2.C22H14Br2N2/c1-5-17-39(18-6-1)43-29-45(34-49(32-43)52-25-13-15-27-57-52)47-31-48(46-30-44(40-19-7-2-8-20-40)33-50(35-46)53-26-14-16-28-58-53)37-51(36-47)56-59-54(41-21-9-3-10-22-41)38-55(60-56)42-23-11-4-12-24-42;1-22(2)23(3,4)27-24(26-22)20-15-18(17-10-6-5-7-11-17)14-19(16-20)21-12-8-9-13-25-21;23-18-11-17(12-19(24)13-18)22-25-20(15-7-3-1-4-8-15)14-21(26-22)16-9-5-2-6-10-16/h1-38H;5-16H,1-4H3;1-14H
InChIKeyGBQXDDBXDMFCMF-UHFFFAOYSA-N
MW1590.39 g/mol
LogP25.99
Rot. Bonds15

About 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 158207439) has the molecular formula C101H76BBr2N7O2 and a molecular weight of 1590.39 g/mol. Its IUPAC name is 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID158207439
Molecular FormulaC101H76BBr2N7O2
Molecular Weight1590.39 g/mol
Exact Mass1587.45
IUPAC Name2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccn3)c2)OC1(C)C.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccn5)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc(-c3ccccn3)c2)cc1
InChIInChI=1S/C56H38N4.C23H24BNO2.C22H14Br2N2/c1-5-17-39(18-6-1)43-29-45(34-49(32-43)52-25-13-15-27-57-52)47-31-48(46-30-44(40-19-7-2-8-20-40)33-50(35-46)53-26-14-16-28-58-53)37-51(36-47)56-59-54(41-21-9-3-10-22-41)38-55(60-56)42-23-11-4-12-24-42;1-22(2)23(3,4)27-24(26-22)20-15-18(17-10-6-5-7-11-17)14-19(16-20)21-12-8-9-13-25-21;23-18-11-17(12-19(24)13-18)22-25-20(15-7-3-1-4-8-15)14-21(26-22)16-9-5-2-6-10-16/h1-38H;5-16H,1-4H3;1-14H
InChIKeyGBQXDDBXDMFCMF-UHFFFAOYSA-N
XLogP25.99
TPSA108.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001590.39
LogP ≤ 525.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine with MolForge

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Related Compounds

2-[3,5-Bis(3,5-dipyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 68080926
2-[3,5-Bis(3-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenyl-5-pyridin-2-ylphenyl)pyrimidine
CID 117748351
4-Phenyl-2,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]pyrimidine
CID 121311721
4-[3-(3,5-Dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine
CID 129291736
4-(3,5-Dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262354
4-[3-Bromo-5-(4-pyridin-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 132030173
2-Pyridin-2-yl-4-pyridin-3-yl-6-[3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140793753
4,6-Dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140796907
4-(4-Phenylphenyl)-6-(6-phenyl-3-pyridinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140796908
4,6-Bis(5-phenyl-2-pyridinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140796909
2,4-Bis(6-phenyl-3-pyridinyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140796938
4,6-Bis(4-pyridin-3-ylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140796987

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 158207439) is 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is Brc1cc(Br)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccn3)c2)OC1(C)C.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccn5)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is GBQXDDBXDMFCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4.C23H24BNO2.C22H14Br2N2/c1-5-17-39(18-6-1)43-29-45(34-49(32-43)52-25-13-15-27-57-52)47-31-48(46-30-44(40-19-7-2-8-20-40)33-50(35-46)53-26-14-16-28-58-53)37-51(36-47)56-59-54(41-21-9-3-10-22-41)38-55(60-56)42-23-11-4-12-24-42;1-22(2)23(3,4)27-24(26-22)20-15-18(17-10-6-5-7-11-17)14-19(16-20)21-12-8-9-13-25-21;23-18-11-17(12-19(24)13-18)22-25-20(15-7-3-1-4-8-15)14-21(26-22)16-9-5-2-6-10-16/h1-38H;5-16H,1-4H3;1-14H.
What are the key properties of 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 1590.39 g/mol, XLogP of 25.99, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 158207439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).