4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

C28H24FN3 — CID 139304267

IUPAC4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCc1cc(C2N=C(c3ccc(-c4ccccc4)cc3)NC(c3ccccc3)N2)ccc1F
InChIInChI=1S/C28H24FN3/c1-19-18-24(16-17-25(19)29)28-31-26(22-10-6-3-7-11-22)30-27(32-28)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18,26,28,31H,1H3,(H,30,32)
InChIKeyQZSCTUKZBNYCAH-UHFFFAOYSA-N
MW421.52 g/mol
LogP6.14
Rot. Bonds4

About 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 139304267) has the molecular formula C28H24FN3 and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID139304267
Molecular FormulaC28H24FN3
Molecular Weight421.52 g/mol
Exact Mass421.20
IUPAC Name4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCc1cc(C2N=C(c3ccc(-c4ccccc4)cc3)NC(c3ccccc3)N2)ccc1F
InChIInChI=1S/C28H24FN3/c1-19-18-24(16-17-25(19)29)28-31-26(22-10-6-3-7-11-22)30-27(32-28)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18,26,28,31H,1H3,(H,30,32)
InChIKeyQZSCTUKZBNYCAH-UHFFFAOYSA-N
XLogP6.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129128255
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
4-[3-[2-ethenyl-6-(4-phenylphenyl)phenyl]-4-methylphenyl]-6-(2-methylsulfanyl-3-phenylphenyl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170364323
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 134401083
2-[2-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099445
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine
CID 129201348
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 174300944

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 139304267) is 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is Cc1cc(C2N=C(c3ccc(-c4ccccc4)cc3)NC(c3ccccc3)N2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is QZSCTUKZBNYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3/c1-19-18-24(16-17-25(19)29)28-31-26(22-10-6-3-7-11-22)30-27(32-28)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18,26,28,31H,1H3,(H,30,32).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 421.52 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 139304267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).