2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline

C71H61N11 — CID 161071912

IUPAC2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline
SMILESCc1cc(-c2ccccc2)c2ccccc2n1.Cc1ccc2ccccc2n1.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1
InChIInChI=1S/C16H13N.C15H12N2.C11H10N2.C10H9N3.C10H9N.C9H8N2/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7/h2-11H,1H3;2-10H,1H3;2-8H,1H3;2-7H,1H3;2-7H,1H3;2-6H,1H3
InChIKeyUETQWPGSNAWZJQ-UHFFFAOYSA-N
MW1068.35 g/mol
LogP16.60
Rot. Bonds4

About 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline

2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline (PubChem CID 161071912) has the molecular formula C71H61N11 and a molecular weight of 1068.35 g/mol. Its IUPAC name is 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline.

Molecular Properties

Compound Name2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline
PubChem CID161071912
Molecular FormulaC71H61N11
Molecular Weight1068.35 g/mol
Exact Mass1067.51
IUPAC Name2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline
SMILESCc1cc(-c2ccccc2)c2ccccc2n1.Cc1ccc2ccccc2n1.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1
InChIInChI=1S/C16H13N.C15H12N2.C11H10N2.C10H9N3.C10H9N.C9H8N2/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7/h2-11H,1H3;2-10H,1H3;2-8H,1H3;2-7H,1H3;2-7H,1H3;2-6H,1H3
InChIKeyUETQWPGSNAWZJQ-UHFFFAOYSA-N
XLogP16.60
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001068.35
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Launch Full Analysis

Related Compounds

2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methyl-1,3,5-triazine
CID 158573841
2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
CID 159423893
5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
CID 157326045
2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline
CID 160970757
2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-phenyl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)quinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline;8-(4-methylphenyl)quinoline
CID 158028416
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
4-methyl-2,5-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;4-methyl-5,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-5-phenylpyrimidine;4-methyl-5-phenylpyrimidine;4-methyl-6-phenylpyrimidine;5-methyl-4-phenylpyrimidine;2-methyl-4,5,6-triphenylpyrimidine;4-methyl-2,5,6-triphenylpyrimidine
CID 158480562
2,4-diphenylpyrimidine;triphenylene
CID 175536318
ethane;2-methylquinazoline
CID 176988292
2-methylquinazoline;platinum
CID 140601163
2-methyl-4,6-diphenylbenzo[h]quinazoline
CID 157187450
2-phenylquinazoline
CID 158733567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline?
The IUPAC name of 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline (CID 161071912) is 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline.
What is the SMILES notation for 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline?
The canonical SMILES for 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline is Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1ccc2ccccc2n1.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline?
The InChIKey is UETQWPGSNAWZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C15H12N2.C11H10N2.C10H9N3.C10H9N.C9H8N2/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7/h2-11H,1H3;2-10H,1H3;2-8H,1H3;2-7H,1H3;2-7H,1H3;2-6H,1H3.
What are the key properties of 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline?
2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline has a molecular weight of 1068.35 g/mol, XLogP of 16.60, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline is sourced from PubChem (CID 161071912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).