2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C28H22N4 — CID 146586999

IUPAC2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)cn1
InChIInChI=1S/C28H22N4/c1-19-18-29-20(2)16-25(19)23-14-9-15-24(17-23)28-31-26(21-10-5-3-6-11-21)30-27(32-28)22-12-7-4-8-13-22/h3-18H,1-2H3
InChIKeyCKTNUTNAHDGUSP-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.55
Rot. Bonds4

About 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146586999) has the molecular formula C28H22N4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146586999
Molecular FormulaC28H22N4
Molecular Weight414.51 g/mol
Exact Mass414.18
IUPAC Name2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)cn1
InChIInChI=1S/C28H22N4/c1-19-18-29-20(2)16-25(19)23-14-9-15-24(17-23)28-31-26(21-10-5-3-6-11-21)30-27(32-28)22-12-7-4-8-13-22/h3-18H,1-2H3
InChIKeyCKTNUTNAHDGUSP-UHFFFAOYSA-N
XLogP6.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-phenylpyridine
CID 603086
2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline
CID 167607453
2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 122416438
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
2-[3-(2,5-dimethyl-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 167364383
2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146587201

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146586999) is 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)cn1.
What is the InChIKey of 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CKTNUTNAHDGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4/c1-19-18-29-20(2)16-25(19)23-14-9-15-24(17-23)28-31-26(21-10-5-3-6-11-21)30-27(32-28)22-12-7-4-8-13-22/h3-18H,1-2H3.
What are the key properties of 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 414.51 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146586999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).