2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine

C113H86Br5N15 — CID 157107556

IUPAC2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)cc1Br.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1Br.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1Br.Cc1cc(Br)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(Br)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/3C23H18BrN3.2C22H16BrN3/c1-15-14-20(24)16(2)13-19(15)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-13-19(24)14-16(2)20(15)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-13-19(14-16(2)20(15)24)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-14-18(23)12-13-19(15)22-25-20(16-8-4-2-5-9-16)24-21(26-22)17-10-6-3-7-11-17;1-15-14-18(12-13-19(15)23)22-25-20(16-8-4-2-5-9-16)24-21(26-22)17-10-6-3-7-11-17/h3*3-14H,1-2H3;2*2-14H,1H3
InChIKeyAGLXGXLIIROQHE-UHFFFAOYSA-N
MW2053.56 g/mol
LogP30.64
Rot. Bonds15

About 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 157107556) has the molecular formula C113H86Br5N15 and a molecular weight of 2053.56 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID157107556
Molecular FormulaC113H86Br5N15
Molecular Weight2053.56 g/mol
Exact Mass2047.31
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)cc1Br.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1Br.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1Br.Cc1cc(Br)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(Br)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/3C23H18BrN3.2C22H16BrN3/c1-15-14-20(24)16(2)13-19(15)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-13-19(24)14-16(2)20(15)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-13-19(14-16(2)20(15)24)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-14-18(23)12-13-19(15)22-25-20(16-8-4-2-5-9-16)24-21(26-22)17-10-6-3-7-11-17;1-15-14-18(12-13-19(15)23)22-25-20(16-8-4-2-5-9-16)24-21(26-22)17-10-6-3-7-11-17/h3*3-14H,1-2H3;2*2-14H,1H3
InChIKeyAGLXGXLIIROQHE-UHFFFAOYSA-N
XLogP30.64
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.56
LogP ≤ 530.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[4-[4-[4-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174268044
2-Cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 162418341
2-[3,5-Bis(4-hexylphenyl)phenyl]-4,6-bis(4-bromophenyl)-1,3,5-triazine
CID 59147596
2-[3,5-Bis(3,5-dihexylphenyl)phenyl]-4,6-bis(4-bromophenyl)-1,3,5-triazine
CID 59147607
2-[2-[2-(2,5-Dibromophenyl)ethyl]-5-phenylphenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 67982869
2,4-Bis[4-(4-bromophenyl)phenyl]-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 68021258
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-[4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531614
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531802
2-(3-Bromo-5-phenanthren-9-ylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88866076
2-[4-[(E)-7-[4-[(E)-7-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]hept-6-enyl]-2,5-dibromophenyl]hept-1-enyl]phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 89661280
2-[4-[7-[4-[7-[4-[4,6-Bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]heptyl]-2,5-dibromophenyl]heptyl]phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 89661285
2-[3-[4-[2-(2,5-Dibromophenyl)ethyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 89860201

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 157107556) is 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)cc1Br.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1Br.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1Br.Cc1cc(Br)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(Br)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AGLXGXLIIROQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H18BrN3.2C22H16BrN3/c1-15-14-20(24)16(2)13-19(15)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-13-19(24)14-16(2)20(15)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-13-19(14-16(2)20(15)24)23-26-21(17-9-5-3-6-10-17)25-22(27-23)18-11-7-4-8-12-18;1-15-14-18(23)12-13-19(15)22-25-20(16-8-4-2-5-9-16)24-21(26-22)17-10-6-3-7-11-17;1-15-14-18(12-13-19(15)23)22-25-20(16-8-4-2-5-9-16)24-21(26-22)17-10-6-3-7-11-17/h3*3-14H,1-2H3;2*2-14H,1H3.
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2053.56 g/mol, XLogP of 30.64, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2,6-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromo-3-methylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157107556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).