2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)

C63H63N17 — CID 158179452

IUPAC2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ncncn1.Cc1ncncn1.Cc1ncncn1
InChIInChI=1S/C17H14N2.C16H13N3.3C6H7N.3C4H5N3/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;3*1-4-6-2-5-3-7-4/h2-12H,1H3;2-11H,1H3;3*2-5H,1H3;3*2-3H,1H3
InChIKeyFYJZKOZFAIPJNP-UHFFFAOYSA-N
MW1058.32 g/mol
LogP12.34
Rot. Bonds4

About 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)

2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine) (PubChem CID 158179452) has the molecular formula C63H63N17 and a molecular weight of 1058.32 g/mol. Its IUPAC name is 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine).

Molecular Properties

Compound Name2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)
PubChem CID158179452
Molecular FormulaC63H63N17
Molecular Weight1058.32 g/mol
Exact Mass1057.55
IUPAC Name2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ncncn1.Cc1ncncn1.Cc1ncncn1
InChIInChI=1S/C17H14N2.C16H13N3.3C6H7N.3C4H5N3/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;3*1-4-6-2-5-3-7-4/h2-12H,1H3;2-11H,1H3;3*2-5H,1H3;3*2-3H,1H3
InChIKeyFYJZKOZFAIPJNP-UHFFFAOYSA-N
XLogP12.34
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.32
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine) with MolForge

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Related Compounds

bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
ethane;4-methyl-2,6-diphenylpyridine;3-methyl-2-(4-methylphenyl)-6-phenylpyridine;2-methyl-5-phenylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 163962635
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
4-(3,5-diphenylphenyl)-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4,6-dipyridin-4-ylpyrimidine;2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-pyridin-4-ylpyrimidine;2-methyl-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 159471175
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene
CID 163534862
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
2,4-dimethyl-6-[4-[4-methyl-6-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)?
The IUPAC name of 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine) (CID 158179452) is 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine).
What is the SMILES notation for 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)?
The canonical SMILES for 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine) is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ncncn1.Cc1ncncn1.Cc1ncncn1.
What is the InChIKey of 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)?
The InChIKey is FYJZKOZFAIPJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.C16H13N3.3C6H7N.3C4H5N3/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;3*1-4-6-2-5-3-7-4/h2-12H,1H3;2-11H,1H3;3*2-5H,1H3;3*2-3H,1H3.
What are the key properties of 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)?
2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine) has a molecular weight of 1058.32 g/mol, XLogP of 12.34, 4 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine) is sourced from PubChem (CID 158179452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).