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

C30H20N6 — CID 144765773

IUPAC2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccccn4)n3)cc2)nc1
InChIInChI=1S/C30H20N6/c1-3-17-32-26(5-1)23-9-13-25(14-10-23)29-34-28(35-30(36-29)27-6-2-4-18-33-27)24-11-7-21(8-12-24)22-15-19-31-20-16-22/h1-20H
InChIKeyZFRZLBMCUYAKBU-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.39
Rot. Bonds5

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

2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 144765773) has the molecular formula C30H20N6 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID144765773
Molecular FormulaC30H20N6
Molecular Weight464.53 g/mol
Exact Mass464.17
IUPAC Name2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccccn4)n3)cc2)nc1
InChIInChI=1S/C30H20N6/c1-3-17-32-26(5-1)23-9-13-25(14-10-23)29-34-28(35-30(36-29)27-6-2-4-18-33-27)24-11-7-21(8-12-24)22-15-19-31-20-16-22/h1-20H
InChIKeyZFRZLBMCUYAKBU-UHFFFAOYSA-N
XLogP6.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 144765773) is 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccccn4)n3)cc2)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is ZFRZLBMCUYAKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6/c1-3-17-32-26(5-1)23-9-13-25(14-10-23)29-34-28(35-30(36-29)27-6-2-4-18-33-27)24-11-7-21(8-12-24)22-15-19-31-20-16-22/h1-20H.
What are the key properties of 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 464.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 144765773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).