4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine

C22H18ClN3 — CID 170004068

IUPAC4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C22H18ClN3/c1-26-21(17-8-4-2-5-9-17)24-20(16-12-14-19(23)15-13-16)25-22(26)18-10-6-3-7-11-18/h2-15,21H,1H3
InChIKeyDUJABKUUVFCBKT-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.18
Rot. Bonds3

About 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine

4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine (PubChem CID 170004068) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
PubChem CID170004068
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C22H18ClN3/c1-26-21(17-8-4-2-5-9-17)24-20(16-12-14-19(23)15-13-16)25-22(26)18-10-6-3-7-11-18/h2-15,21H,1H3
InChIKeyDUJABKUUVFCBKT-UHFFFAOYSA-N
XLogP5.18
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
2,4,6-triphenyl-2H-1,3,5-triazin-1-amine
CID 151330354
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
10-methyl-9,22-diphenyl-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,12,14,16(29),17(28),18,20,23,25-tetradecaene
CID 138601064
4-[3-(4-cyanophenyl)-5-[9,9-difluoro-7-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)fluoren-2-yl]phenyl]benzonitrile
CID 135247155
6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine
CID 90267623
1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
CID 142593018
9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole
CID 135160707
12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163972576
7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163832485

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine (CID 170004068) is 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccc(Cl)cc2)=NC1c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine?
The InChIKey is DUJABKUUVFCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c1-26-21(17-8-4-2-5-9-17)24-20(16-12-14-19(23)15-13-16)25-22(26)18-10-6-3-7-11-18/h2-15,21H,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine?
4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine has a molecular weight of 359.86 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine is sourced from PubChem (CID 170004068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).