2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine

C36H27N9 — CID 58261715

IUPAC2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C)cn5)nc4)nc(-c4ccc(-c5ccc(C)cn5)nc4)n3)cn2)nc1
InChIInChI=1S/C36H27N9/c1-22-4-10-28(37-16-22)31-13-7-25(19-40-31)34-43-35(26-8-14-32(41-20-26)29-11-5-23(2)17-38-29)45-36(44-34)27-9-15-33(42-21-27)30-12-6-24(3)18-39-30/h4-21H,1-3H3
InChIKeyVMUUKYFZOJQLOM-UHFFFAOYSA-N
MW585.68 g/mol
LogP7.17
Rot. Bonds6

About 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine

2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 58261715) has the molecular formula C36H27N9 and a molecular weight of 585.68 g/mol. Its IUPAC name is 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
PubChem CID58261715
Molecular FormulaC36H27N9
Molecular Weight585.68 g/mol
Exact Mass585.24
IUPAC Name2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C)cn5)nc4)nc(-c4ccc(-c5ccc(C)cn5)nc4)n3)cn2)nc1
InChIInChI=1S/C36H27N9/c1-22-4-10-28(37-16-22)31-13-7-25(19-40-31)34-43-35(26-8-14-32(41-20-26)29-11-5-23(2)17-38-29)45-36(44-34)27-9-15-33(42-21-27)30-12-6-24(3)18-39-30/h4-21H,1-3H3
InChIKeyVMUUKYFZOJQLOM-UHFFFAOYSA-N
XLogP7.17
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.68
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine (CID 58261715) is 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine is Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C)cn5)nc4)nc(-c4ccc(-c5ccc(C)cn5)nc4)n3)cn2)nc1.
What is the InChIKey of 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is VMUUKYFZOJQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N9/c1-22-4-10-28(37-16-22)31-13-7-25(19-40-31)34-43-35(26-8-14-32(41-20-26)29-11-5-23(2)17-38-29)45-36(44-34)27-9-15-33(42-21-27)30-12-6-24(3)18-39-30/h4-21H,1-3H3.
What are the key properties of 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine?
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 585.68 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 58261715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).