4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C28H23N3 — CID 144615998

IUPAC4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCc1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1
InChIInChI=1S/C28H23N3/c1-20-17-24(21-11-5-2-6-12-21)19-25(18-20)28-30-26(22-13-7-3-8-14-22)29-27(31-28)23-15-9-4-10-16-23/h2-19,28H,1H3,(H,29,30,31)
InChIKeyGGSDPTFEQJFIOC-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.16
Rot. Bonds4

About 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 144615998) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID144615998
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCc1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1
InChIInChI=1S/C28H23N3/c1-20-17-24(21-11-5-2-6-12-21)19-25(18-20)28-30-26(22-13-7-3-8-14-22)29-27(31-28)23-15-9-4-10-16-23/h2-19,28H,1H3,(H,29,30,31)
InChIKeyGGSDPTFEQJFIOC-UHFFFAOYSA-N
XLogP6.16
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diphenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 164758282
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 153197016
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-1-methylisoquinoline
CID 130181078
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline
CID 145384087
4-[3-(2-tert-butyl-6-methyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 164758285

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 144615998) is 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is Cc1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1.
What is the InChIKey of 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is GGSDPTFEQJFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-20-17-24(21-11-5-2-6-12-21)19-25(18-20)28-30-26(22-13-7-3-8-14-22)29-27(31-28)23-15-9-4-10-16-23/h2-19,28H,1H3,(H,29,30,31).
What are the key properties of 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 401.51 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 144615998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).