2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

C103H77BBrN11O2 — CID 158173904

IUPAC2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C48H32N6.C34H31BN2O2.C21H14BrN3/c1-5-15-33(16-6-1)34-27-29-38(30-28-34)46-50-45(37-21-11-4-12-22-37)53-48(54-46)42-26-14-24-40(32-42)39-23-13-25-41(31-39)47-51-43(35-17-7-2-8-18-35)49-44(52-47)36-19-9-3-10-20-36;1-33(2)34(3,4)39-35(38-33)29-17-11-16-28(22-29)32-36-30(26-14-9-6-10-15-26)23-31(37-32)27-20-18-25(19-21-27)24-12-7-5-8-13-24;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-32H;5-23H,1-4H3;1-14H
InChIKeyFXTUHVNVSPZDMC-UHFFFAOYSA-N
MW1591.54 g/mol
LogP24.47
Rot. Bonds16

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (PubChem CID 158173904) has the molecular formula C103H77BBrN11O2 and a molecular weight of 1591.54 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
PubChem CID158173904
Molecular FormulaC103H77BBrN11O2
Molecular Weight1591.54 g/mol
Exact Mass1589.55
IUPAC Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C48H32N6.C34H31BN2O2.C21H14BrN3/c1-5-15-33(16-6-1)34-27-29-38(30-28-34)46-50-45(37-21-11-4-12-22-37)53-48(54-46)42-26-14-24-40(32-42)39-23-13-25-41(31-39)47-51-43(35-17-7-2-8-18-35)49-44(52-47)36-19-9-3-10-20-36;1-33(2)34(3,4)39-35(38-33)29-17-11-16-28(22-29)32-36-30(26-14-9-6-10-15-26)23-31(37-32)27-20-18-25(19-21-27)24-12-7-5-8-13-24;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-32H;5-23H,1-4H3;1-14H
InChIKeyFXTUHVNVSPZDMC-UHFFFAOYSA-N
XLogP24.47
TPSA160.25 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.54
LogP ≤ 524.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine with MolForge

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Related Compounds

2-Bromo-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 161525609
2-(4-Tert-butylphenyl)-4-[4-[5-[4-[4-(4-tert-butylphenyl)-6-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-1,3,5-triazin-2-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-6-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 173785210
4-[3-Bromo-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 58943372
2-[3-Bromo-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 117733366
2-[3-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 123552382
4,6-Diphenyl-2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyrimidine
CID 123657555
4-[3-(3-Bromophenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 129294527
4-([1,1'-Biphenyl]-4-yl)-2-phenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrimidine
CID 132427659
2-Methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine
CID 138661696
4-Phenyl-6-(4-phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 139271714
2-[2-(4,6-Dimethylpyrimidin-2-yl)-3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140265163
4,6-Diphenyl-2-[3-(2-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140314292

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (CID 158173904) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The InChIKey is FXTUHVNVSPZDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6.C34H31BN2O2.C21H14BrN3/c1-5-15-33(16-6-1)34-27-29-38(30-28-34)46-50-45(37-21-11-4-12-22-37)53-48(54-46)42-26-14-24-40(32-42)39-23-13-25-41(31-39)47-51-43(35-17-7-2-8-18-35)49-44(52-47)36-19-9-3-10-20-36;1-33(2)34(3,4)39-35(38-33)29-17-11-16-28(22-29)32-36-30(26-14-9-6-10-15-26)23-31(37-32)27-20-18-25(19-21-27)24-12-7-5-8-13-24;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-32H;5-23H,1-4H3;1-14H.
What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine has a molecular weight of 1591.54 g/mol, XLogP of 24.47, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;4-phenyl-6-(4-phenylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 158173904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).