2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine

C106H86N24 — CID 160638422

IUPAC2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCCCCCCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.Cc1ccc(-c2nc(-c3cncnc3)nc(-c3cncnc3)n2)cc1.Cc1ccc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)cc1
InChIInChI=1S/C28H28N2.C23H18N2.C19H14N6.2C18H13N7/c1-2-3-4-7-12-22-17-19-25(20-18-22)28-29-26(23-13-8-5-9-14-23)21-27(30-28)24-15-10-6-11-16-24;1-17-12-14-20(15-13-17)23-24-21(18-8-4-2-5-9-18)16-22(25-23)19-10-6-3-7-11-19;1-13-8-9-16(22-12-13)19-24-17(14-6-2-4-10-20-14)23-18(25-19)15-7-3-5-11-21-15;1-12-4-6-13(7-5-12)14-23-17(15-19-8-2-9-20-15)25-18(24-14)16-21-10-3-11-22-16;1-12-2-4-13(5-3-12)16-23-17(14-6-19-10-20-7-14)25-18(24-16)15-8-21-11-22-9-15/h5-6,8-11,13-21H,2-4,7,12H2,1H3;2-16H,1H3;2-12H,1H3;2*2-11H,1H3
InChIKeyRIVROQXWCYLKIH-UHFFFAOYSA-N
MW1696.02 g/mol
LogP22.27
Rot. Bonds20

About 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine

2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 160638422) has the molecular formula C106H86N24 and a molecular weight of 1696.02 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID160638422
Molecular FormulaC106H86N24
Molecular Weight1696.02 g/mol
Exact Mass1694.75
IUPAC Name2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCCCCCCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.Cc1ccc(-c2nc(-c3cncnc3)nc(-c3cncnc3)n2)cc1.Cc1ccc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)cc1
InChIInChI=1S/C28H28N2.C23H18N2.C19H14N6.2C18H13N7/c1-2-3-4-7-12-22-17-19-25(20-18-22)28-29-26(23-13-8-5-9-14-23)21-27(30-28)24-15-10-6-11-16-24;1-17-12-14-20(15-13-17)23-24-21(18-8-4-2-5-9-18)16-22(25-23)19-10-6-3-7-11-19;1-13-8-9-16(22-12-13)19-24-17(14-6-2-4-10-20-14)23-18(25-19)15-7-3-5-11-21-15;1-12-4-6-13(7-5-12)14-23-17(15-19-8-2-9-20-15)25-18(24-14)16-21-10-3-11-22-16;1-12-2-4-13(5-3-12)16-23-17(14-6-19-10-20-7-14)25-18(24-16)15-8-21-11-22-9-15/h5-6,8-11,13-21H,2-4,7,12H2,1H3;2-16H,1H3;2-12H,1H3;2*2-11H,1H3
InChIKeyRIVROQXWCYLKIH-UHFFFAOYSA-N
XLogP22.27
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.02
LogP ≤ 522.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine with MolForge

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Related Compounds

5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
2-(3,5-dihexylphenyl)-4,6-bis(5-methylpyrimidin-2-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(5-methylpyrimidin-2-yl)-1,3,5-triazine
CID 159204192
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119401
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
2-[3,5-bis[3-(3-methylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3,5-bis[3-(3-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;5-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2-octylpyrimidine;4-[3,5-bis[3-(2-methylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine;2-[3,5-bis[3-(3-methylphenyl)phenyl]phenyl]-5-phenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 159501503
2-[6-[4-[4,6-bis(4-hexylphenyl)-1,3,5-triazin-2-yl]benzene-6-id-1-yl]-3-pyridinyl]-4,6-bis(4-hexylphenyl)-1,3,5-triazine;iridium(3+);bis(2-phenylpyridine)
CID 59156307
2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine
CID 159313177
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine (CID 160638422) is 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine is CCCCCCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.Cc1ccc(-c2nc(-c3cncnc3)nc(-c3cncnc3)n2)cc1.Cc1ccc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is RIVROQXWCYLKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2.C23H18N2.C19H14N6.2C18H13N7/c1-2-3-4-7-12-22-17-19-25(20-18-22)28-29-26(23-13-8-5-9-14-23)21-27(30-28)24-15-10-6-11-16-24;1-17-12-14-20(15-13-17)23-24-21(18-8-4-2-5-9-18)16-22(25-23)19-10-6-3-7-11-19;1-13-8-9-16(22-12-13)19-24-17(14-6-2-4-10-20-14)23-18(25-19)15-7-3-5-11-21-15;1-12-4-6-13(7-5-12)14-23-17(15-19-8-2-9-20-15)25-18(24-14)16-21-10-3-11-22-16;1-12-2-4-13(5-3-12)16-23-17(14-6-19-10-20-7-14)25-18(24-16)15-8-21-11-22-9-15/h5-6,8-11,13-21H,2-4,7,12H2,1H3;2-16H,1H3;2-12H,1H3;2*2-11H,1H3.
What are the key properties of 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 1696.02 g/mol, XLogP of 22.27, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 160638422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).