2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine

C156H134N6 — CID 160723624

IUPAC2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine
SMILESCc1cc(C)c(C)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1C.Cc1ccc(C)c(-c2ccc(-c3cc(-c4ccc(-c5cc(C)ccc5C)cc4)nc(-c4ccc(-c5cc(C)ccc5C)cc4)c3)cc2)c1.Cc1ccc(C)c(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.Cc1ccc(C)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C)ccc5C)c4)nc(-c4cccc(-c5cc(C)ccc5C)c4)c3)c2)c1
InChIInChI=1S/2C47H41N.C32H28N2.C30H24N2/c1-30-7-10-33(4)43(25-30)37-15-13-36(14-16-37)42-28-46(40-21-17-38(18-22-40)44-26-31(2)8-11-34(44)5)48-47(29-42)41-23-19-39(20-24-41)45-27-32(3)9-12-35(45)6;1-30-16-19-33(4)43(22-30)37-11-7-10-36(25-37)42-28-46(40-14-8-12-38(26-40)44-23-31(2)17-20-34(44)5)48-47(29-42)41-15-9-13-39(27-41)45-24-32(3)18-21-35(45)6;1-21-19-22(2)24(4)31(23(21)3)27-17-15-26(16-18-27)30-20-29(25-11-7-5-8-12-25)33-32(34-30)28-13-9-6-10-14-28;1-21-13-14-22(2)27(19-21)23-15-17-26(18-16-23)30-31-28(24-9-5-3-6-10-24)20-29(32-30)25-11-7-4-8-12-25/h2*7-29H,1-6H3;5-20H,1-4H3;3-20H,1-2H3
InChIKeyRTKPEHKZNHTTLL-UHFFFAOYSA-N
MW2092.83 g/mol
LogP42.01
Rot. Bonds20

About 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine

2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine (PubChem CID 160723624) has the molecular formula C156H134N6 and a molecular weight of 2092.83 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine
PubChem CID160723624
Molecular FormulaC156H134N6
Molecular Weight2092.83 g/mol
Exact Mass2091.07
IUPAC Name2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine
SMILESCc1cc(C)c(C)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1C.Cc1ccc(C)c(-c2ccc(-c3cc(-c4ccc(-c5cc(C)ccc5C)cc4)nc(-c4ccc(-c5cc(C)ccc5C)cc4)c3)cc2)c1.Cc1ccc(C)c(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.Cc1ccc(C)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C)ccc5C)c4)nc(-c4cccc(-c5cc(C)ccc5C)c4)c3)c2)c1
InChIInChI=1S/2C47H41N.C32H28N2.C30H24N2/c1-30-7-10-33(4)43(25-30)37-15-13-36(14-16-37)42-28-46(40-21-17-38(18-22-40)44-26-31(2)8-11-34(44)5)48-47(29-42)41-23-19-39(20-24-41)45-27-32(3)9-12-35(45)6;1-30-16-19-33(4)43(22-30)37-11-7-10-36(25-37)42-28-46(40-14-8-12-38(26-40)44-23-31(2)17-20-34(44)5)48-47(29-42)41-15-9-13-39(27-41)45-24-32(3)18-21-35(45)6;1-21-19-22(2)24(4)31(23(21)3)27-17-15-26(16-18-27)30-20-29(25-11-7-5-8-12-25)33-32(34-30)28-13-9-6-10-14-28;1-21-13-14-22(2)27(19-21)23-15-17-26(18-16-23)30-31-28(24-9-5-3-6-10-24)20-29(32-30)25-11-7-4-8-12-25/h2*7-29H,1-6H3;5-20H,1-4H3;3-20H,1-2H3
InChIKeyRTKPEHKZNHTTLL-UHFFFAOYSA-N
XLogP42.01
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms162
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002092.83
LogP ≤ 542.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine (CID 160723624) is 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine is Cc1cc(C)c(C)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1C.Cc1ccc(C)c(-c2ccc(-c3cc(-c4ccc(-c5cc(C)ccc5C)cc4)nc(-c4ccc(-c5cc(C)ccc5C)cc4)c3)cc2)c1.Cc1ccc(C)c(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.Cc1ccc(C)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C)ccc5C)c4)nc(-c4cccc(-c5cc(C)ccc5C)c4)c3)c2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine?
The InChIKey is RTKPEHKZNHTTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H41N.C32H28N2.C30H24N2/c1-30-7-10-33(4)43(25-30)37-15-13-36(14-16-37)42-28-46(40-21-17-38(18-22-40)44-26-31(2)8-11-34(44)5)48-47(29-42)41-23-19-39(20-24-41)45-27-32(3)9-12-35(45)6;1-30-16-19-33(4)43(22-30)37-11-7-10-36(25-37)42-28-46(40-14-8-12-38(26-40)44-23-31(2)17-20-34(44)5)48-47(29-42)41-15-9-13-39(27-41)45-24-32(3)18-21-35(45)6;1-21-19-22(2)24(4)31(23(21)3)27-17-15-26(16-18-27)30-20-29(25-11-7-5-8-12-25)33-32(34-30)28-13-9-6-10-14-28;1-21-13-14-22(2)27(19-21)23-15-17-26(18-16-23)30-31-28(24-9-5-3-6-10-24)20-29(32-30)25-11-7-4-8-12-25/h2*7-29H,1-6H3;5-20H,1-4H3;3-20H,1-2H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine?
2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine has a molecular weight of 2092.83 g/mol, XLogP of 42.01, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine is sourced from PubChem (CID 160723624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).