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

C27H20N4 — CID 130261193

IUPAC2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C27H20N4/c1-19-29-26(23-13-9-21(10-14-23)20-6-3-2-4-7-20)31-27(30-19)24-15-11-22(12-16-24)25-8-5-17-28-18-25/h2-18H,1H3
InChIKeyLOBGUANANJLGMH-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.24
Rot. Bonds4

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

2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 130261193) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID130261193
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C27H20N4/c1-19-29-26(23-13-9-21(10-14-23)20-6-3-2-4-7-20)31-27(30-19)24-15-11-22(12-16-24)25-8-5-17-28-18-25/h2-18H,1H3
InChIKeyLOBGUANANJLGMH-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-dimethyl-6-[4-[4-methyl-6-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842864
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 165168395
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 164819251
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 171440364
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
CID 14045777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 130261193) is 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is Cc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is LOBGUANANJLGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c1-19-29-26(23-13-9-21(10-14-23)20-6-3-2-4-7-20)31-27(30-19)24-15-11-22(12-16-24)25-8-5-17-28-18-25/h2-18H,1H3.
What are the key properties of 2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-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-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130261193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).