N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide

C23H18N4O — CID 142172508

IUPACN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18N4O/c1-27(16-28)20-14-12-19(13-15-20)23-25-21(17-8-4-2-5-9-17)24-22(26-23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyIVTAXCLABCEBAR-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.47
Rot. Bonds5

About N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide

N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide (PubChem CID 142172508) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide
PubChem CID142172508
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18N4O/c1-27(16-28)20-14-12-19(13-15-20)23-25-21(17-8-4-2-5-9-17)24-22(26-23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyIVTAXCLABCEBAR-UHFFFAOYSA-N
XLogP4.47
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
N-methyl-N-(4-phenyldiazenylphenyl)formamide
CID 20987
N-(4-aminophenyl)-N-methylformamide
CID 19983561
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-[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-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane
CID 144768267
4-[formyl(methyl)amino]benzenesulfonyl chloride
CID 43154622
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
N-methyl-N-[2-(methylamino)-4-[3-[4-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide
CID 167485576

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide (CID 142172508) is N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide is CN(C=O)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide?
The InChIKey is IVTAXCLABCEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-27(16-28)20-14-12-19(13-15-20)23-25-21(17-8-4-2-5-9-17)24-22(26-23)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide?
N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide has a molecular weight of 366.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-methylformamide is sourced from PubChem (CID 142172508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).