1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene

C47H49N7 — CID 163534862

IUPAC1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccccc1.Cc1ccncc1.Cc1cncnc1.Cc1ncncn1
InChIInChI=1S/C13H12.C12H11N.C7H8.C6H7N.C5H6N2.C4H5N3/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-2-6-4-7-3-5;1-4-6-2-5-3-7-4/h2-10H,1H3;2-9H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyDWBZNDDYCQGWFZ-UHFFFAOYSA-N
MW711.96 g/mol
LogP11.07
Rot. Bonds2

About 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene

1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene (PubChem CID 163534862) has the molecular formula C47H49N7 and a molecular weight of 711.96 g/mol. Its IUPAC name is 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene.

Molecular Properties

Compound Name1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene
PubChem CID163534862
Molecular FormulaC47H49N7
Molecular Weight711.96 g/mol
Exact Mass711.40
IUPAC Name1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccccc1.Cc1ccncc1.Cc1cncnc1.Cc1ncncn1
InChIInChI=1S/C13H12.C12H11N.C7H8.C6H7N.C5H6N2.C4H5N3/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-2-6-4-7-3-5;1-4-6-2-5-3-7-4/h2-10H,1H3;2-9H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyDWBZNDDYCQGWFZ-UHFFFAOYSA-N
XLogP11.07
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.96
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
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-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
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
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949
2-methylpyrimidine;toluene
CID 157227208
azane;4-phenylpyridine
CID 175775455

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene?
The IUPAC name of 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene (CID 163534862) is 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene.
What is the SMILES notation for 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene?
The canonical SMILES for 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene is Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccccc1.Cc1ccncc1.Cc1cncnc1.Cc1ncncn1.
What is the InChIKey of 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene?
The InChIKey is DWBZNDDYCQGWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C12H11N.C7H8.C6H7N.C5H6N2.C4H5N3/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-2-6-4-7-3-5;1-4-6-2-5-3-7-4/h2-10H,1H3;2-9H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene?
1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene has a molecular weight of 711.96 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene is sourced from PubChem (CID 163534862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).