2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine

C27H20N4 — CID 146568414

IUPAC2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESCc1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-c3ccccn3)c2)n1
InChIInChI=1S/C27H20N4/c1-19-29-26(21-12-6-3-7-13-21)31-27(30-19)24-17-22(20-10-4-2-5-11-20)16-23(18-24)25-14-8-9-15-28-25/h2-18H,1H3
InChIKeyWKDHTGFVNSEEQC-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.24
Rot. Bonds4

About 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine

2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 146568414) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID146568414
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESCc1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-c3ccccn3)c2)n1
InChIInChI=1S/C27H20N4/c1-19-29-26(21-12-6-3-7-13-21)31-27(30-19)24-17-22(20-10-4-2-5-11-20)16-23(18-24)25-14-8-9-15-28-25/h2-18H,1H3
InChIKeyWKDHTGFVNSEEQC-UHFFFAOYSA-N
XLogP6.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine (CID 146568414) is 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine is Cc1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-c3ccccn3)c2)n1.
What is the InChIKey of 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is WKDHTGFVNSEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c1-19-29-26(21-12-6-3-7-13-21)31-27(30-19)24-17-22(20-10-4-2-5-11-20)16-23(18-24)25-14-8-9-15-28-25/h2-18H,1H3.
What are the key properties of 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine?
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 400.49 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146568414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).