2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine

C24H22N4 — CID 164819251

IUPAC2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H22N4/c1-24(2,3)23-27-21(26-22(28-23)20-10-7-15-25-16-20)19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-16H,1-3H3
InChIKeyQYVSDLLNVRMCDO-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.57
Rot. Bonds3

About 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine

2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 164819251) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
PubChem CID164819251
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H22N4/c1-24(2,3)23-27-21(26-22(28-23)20-10-7-15-25-16-20)19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-16H,1-3H3
InChIKeyQYVSDLLNVRMCDO-UHFFFAOYSA-N
XLogP5.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
CID 156828221
3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine
CID 177070308
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine (CID 164819251) is 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is QYVSDLLNVRMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-24(2,3)23-27-21(26-22(28-23)20-10-7-15-25-16-20)19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-16H,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 366.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 164819251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).