2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine

C29H33N5 — CID 118119401

IUPAC2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine
SMILESCCCCCCc1ccc(-c2nc(-c3cc(C)c(C)cn3)nc(-c3cc(C)c(C)cn3)n2)cc1
InChIInChI=1S/C29H33N5/c1-6-7-8-9-10-23-11-13-24(14-12-23)27-32-28(25-15-19(2)21(4)17-30-25)34-29(33-27)26-16-20(3)22(5)18-31-26/h11-18H,6-10H2,1-5H3
InChIKeyXBJCIPNNOGOIBQ-UHFFFAOYSA-N
MW451.62 g/mol
LogP7.02
Rot. Bonds8

About 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine

2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine (PubChem CID 118119401) has the molecular formula C29H33N5 and a molecular weight of 451.62 g/mol. Its IUPAC name is 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine
PubChem CID118119401
Molecular FormulaC29H33N5
Molecular Weight451.62 g/mol
Exact Mass451.27
IUPAC Name2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine
SMILESCCCCCCc1ccc(-c2nc(-c3cc(C)c(C)cn3)nc(-c3cc(C)c(C)cn3)n2)cc1
InChIInChI=1S/C29H33N5/c1-6-7-8-9-10-23-11-13-24(14-12-23)27-32-28(25-15-19(2)21(4)17-30-25)34-29(33-27)26-16-20(3)22(5)18-31-26/h11-18H,6-10H2,1-5H3
InChIKeyXBJCIPNNOGOIBQ-UHFFFAOYSA-N
XLogP7.02
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(4,5-dimethylpyrimidin-2-yl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119388
2-(3,5-dihexylphenyl)-4,6-bis(5-methylpyrimidin-2-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(5-methylpyrimidin-2-yl)-1,3,5-triazine
CID 159204192
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine (CID 118119401) is 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine is CCCCCCc1ccc(-c2nc(-c3cc(C)c(C)cn3)nc(-c3cc(C)c(C)cn3)n2)cc1.
What is the InChIKey of 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine?
The InChIKey is XBJCIPNNOGOIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5/c1-6-7-8-9-10-23-11-13-24(14-12-23)27-32-28(25-15-19(2)21(4)17-30-25)34-29(33-27)26-16-20(3)22(5)18-31-26/h11-18H,6-10H2,1-5H3.
What are the key properties of 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine?
2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine has a molecular weight of 451.62 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118119401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).