2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine

C23H16N4 — CID 161439670

IUPAC2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
SMILES[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2C)n1
InChIInChI=1S/C23H16N4/c1-16-10-6-7-13-18(16)22-25-21(17-11-4-3-5-12-17)26-23(27-22)19-14-8-9-15-20(19)24-2/h3-15H,1H3
InChIKeyDKBXUPCGNOKWPT-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.73
Rot. Bonds3

About 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine

2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 161439670) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID161439670
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC Name2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
SMILES[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2C)n1
InChIInChI=1S/C23H16N4/c1-16-10-6-7-13-18(16)22-25-21(17-11-4-3-5-12-17)26-23(27-22)19-14-8-9-15-20(19)24-2/h3-15H,1H3
InChIKeyDKBXUPCGNOKWPT-UHFFFAOYSA-N
XLogP5.73
TPSA43.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(2-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158728702
2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 162069098
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-4-[4-(2-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 161050070
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyanophenyl]-9-(2-methylphenyl)carbazole
CID 165004301
2-(2-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 160977966
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-isocyanophenyl)phenyl]carbazole
CID 140922330
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 154603135
2-(2,4-difluoro-5-isocyano-3-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 176615419
4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 162069097
bis(2-(2-isocyanophenyl)-4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine);2-(2-isocyanophenyl)-4-phenyl-6-[4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;3-[4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 158956556
2-[4-(2-isocyanophenyl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 168774617

Frequently Asked Questions

What is the IUPAC name of 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine (CID 161439670) is 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine is [C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2C)n1.
What is the InChIKey of 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is DKBXUPCGNOKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-16-10-6-7-13-18(16)22-25-21(17-11-4-3-5-12-17)26-23(27-22)19-14-8-9-15-20(19)24-2/h3-15H,1H3.
What are the key properties of 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 348.41 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 161439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).