2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine

C21H27I2N3 — CID 158896217

IUPAC2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine
SMILESCC.CC.Cc1nc(C)nc(-c2ccc(-c3ccccc3)cc2)n1.II
InChIInChI=1S/C17H15N3.2C2H6.I2/c1-12-18-13(2)20-17(19-12)16-10-8-15(9-11-16)14-6-4-3-5-7-14;3*1-2/h3-11H,1-2H3;2*1-2H3;
InChIKeyJEWCEUKJZUUMCN-UHFFFAOYSA-N
MW575.28 g/mol
LogP7.65
Rot. Bonds2

About 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine

2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine (PubChem CID 158896217) has the molecular formula C21H27I2N3 and a molecular weight of 575.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine
PubChem CID158896217
Molecular FormulaC21H27I2N3
Molecular Weight575.28 g/mol
Exact Mass575.03
IUPAC Name2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine
SMILESCC.CC.Cc1nc(C)nc(-c2ccc(-c3ccccc3)cc2)n1.II
InChIInChI=1S/C17H15N3.2C2H6.I2/c1-12-18-13(2)20-17(19-12)16-10-8-15(9-11-16)14-6-4-3-5-7-14;3*1-2/h3-11H,1-2H3;2*1-2H3;
InChIKeyJEWCEUKJZUUMCN-UHFFFAOYSA-N
XLogP7.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.28
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
2,4-dimethyl-6-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine
CID 130355599
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
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2,4-dimethyl-6-(5-methyl-6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580781
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
2,4-dimethyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580779

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine?
The IUPAC name of 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine (CID 158896217) is 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine.
What is the SMILES notation for 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine?
The canonical SMILES for 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine is CC.CC.Cc1nc(C)nc(-c2ccc(-c3ccccc3)cc2)n1.II.
What is the InChIKey of 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine?
The InChIKey is JEWCEUKJZUUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3.2C2H6.I2/c1-12-18-13(2)20-17(19-12)16-10-8-15(9-11-16)14-6-4-3-5-7-14;3*1-2/h3-11H,1-2H3;2*1-2H3;.
What are the key properties of 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine?
2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine has a molecular weight of 575.28 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine is sourced from PubChem (CID 158896217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).