2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine

C33H21N9 — CID 122232979

IUPAC2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccnc(-c5ccccn5)c4)nc(-c4ccnc(-c5ccccn5)c4)n3)ccn2)nc1
InChIInChI=1S/C33H21N9/c1-4-13-34-25(7-1)28-19-22(10-16-37-28)31-40-32(23-11-17-38-29(20-23)26-8-2-5-14-35-26)42-33(41-31)24-12-18-39-30(21-24)27-9-3-6-15-36-27/h1-21H
InChIKeyNHMCORCHISJSEG-UHFFFAOYSA-N
MW543.59 g/mol
LogP6.24
Rot. Bonds6

About 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine

2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine (PubChem CID 122232979) has the molecular formula C33H21N9 and a molecular weight of 543.59 g/mol. Its IUPAC name is 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine
PubChem CID122232979
Molecular FormulaC33H21N9
Molecular Weight543.59 g/mol
Exact Mass543.19
IUPAC Name2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccnc(-c5ccccn5)c4)nc(-c4ccnc(-c5ccccn5)c4)n3)ccn2)nc1
InChIInChI=1S/C33H21N9/c1-4-13-34-25(7-1)28-19-22(10-16-37-28)31-40-32(23-11-17-38-29(20-23)26-8-2-5-14-35-26)42-33(41-31)24-12-18-39-30(21-24)27-9-3-6-15-36-27/h1-21H
InChIKeyNHMCORCHISJSEG-UHFFFAOYSA-N
XLogP6.24
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.59
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Tt-301
CID 54576073
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
CXCR4 antagonist 6
CID 138501464
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
2,4-Bis(5,6-diphenyl-1,2,4-triazine-3-yl)pyridine
CID 118779
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine (CID 122232979) is 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccnc(-c5ccccn5)c4)nc(-c4ccnc(-c5ccccn5)c4)n3)ccn2)nc1.
What is the InChIKey of 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
The InChIKey is NHMCORCHISJSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N9/c1-4-13-34-25(7-1)28-19-22(10-16-37-28)31-40-32(23-11-17-38-29(20-23)26-8-2-5-14-35-26)42-33(41-31)24-12-18-39-30(21-24)27-9-3-6-15-36-27/h1-21H.
What are the key properties of 2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
2,4,6-tris(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine has a molecular weight of 543.59 g/mol, XLogP of 6.24, 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(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 122232979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).