2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine

C41H32N4S — CID 144918505

IUPAC2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17N3.C19H15NS/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18;1-14-8-2-3-9-15(14)20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h2-15H,1H3;2-13H,1H3
InChIKeyUWVSMKOLHZINNX-UHFFFAOYSA-N
MW612.80 g/mol
LogP11.11
Rot. Bonds4

About 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine

2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine (PubChem CID 144918505) has the molecular formula C41H32N4S and a molecular weight of 612.80 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
PubChem CID144918505
Molecular FormulaC41H32N4S
Molecular Weight612.80 g/mol
Exact Mass612.23
IUPAC Name2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17N3.C19H15NS/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18;1-14-8-2-3-9-15(14)20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h2-15H,1H3;2-13H,1H3
InChIKeyUWVSMKOLHZINNX-UHFFFAOYSA-N
XLogP11.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.80
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylnaphthalen-1-yl]phenothiazine
CID 129290643
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 158949538
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
CID 166527275
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole
CID 164971938

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine?
The IUPAC name of 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine (CID 144918505) is 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine.
What is the SMILES notation for 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine?
The canonical SMILES for 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccccc1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine?
The InChIKey is UWVSMKOLHZINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3.C19H15NS/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18;1-14-8-2-3-9-15(14)20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h2-15H,1H3;2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine?
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine has a molecular weight of 612.80 g/mol, XLogP of 11.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine is sourced from PubChem (CID 144918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).