2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine

C33H24N12 — CID 59203920

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(N(c2ccccn2)c2nc(N(c3ccccn3)c3ccccn3)nc(N(c3ccccn3)c3ccccn3)n2)nc1
InChIInChI=1S/C33H24N12/c1-7-19-34-25(13-1)43(26-14-2-8-20-35-26)31-40-32(44(27-15-3-9-21-36-27)28-16-4-10-22-37-28)42-33(41-31)45(29-17-5-11-23-38-29)30-18-6-12-24-39-30/h1-24H
InChIKeyFWFXVDFURKHUFN-UHFFFAOYSA-N
MW588.64 g/mol
LogP6.65
Rot. Bonds9

About 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 59203920) has the molecular formula C33H24N12 and a molecular weight of 588.64 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID59203920
Molecular FormulaC33H24N12
Molecular Weight588.64 g/mol
Exact Mass588.22
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(N(c2ccccn2)c2nc(N(c3ccccn3)c3ccccn3)nc(N(c3ccccn3)c3ccccn3)n2)nc1
InChIInChI=1S/C33H24N12/c1-7-19-34-25(13-1)43(26-14-2-8-20-35-26)31-40-32(44(27-15-3-9-21-36-27)28-16-4-10-22-37-28)42-33(41-31)45(29-17-5-11-23-38-29)30-18-6-12-24-39-30/h1-24H
InChIKeyFWFXVDFURKHUFN-UHFFFAOYSA-N
XLogP6.65
TPSA125.73 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.64
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine (CID 59203920) is 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine is c1ccc(N(c2ccccn2)c2nc(N(c3ccccn3)c3ccccn3)nc(N(c3ccccn3)c3ccccn3)n2)nc1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FWFXVDFURKHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N12/c1-7-19-34-25(13-1)43(26-14-2-8-20-35-26)31-40-32(44(27-15-3-9-21-36-27)28-16-4-10-22-37-28)42-33(41-31)45(29-17-5-11-23-38-29)30-18-6-12-24-39-30/h1-24H.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 588.64 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexapyridin-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59203920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).