2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine

C33H28N6 — CID 122431249

IUPAC2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESCC1=CC=CC(c2ccc(-c3nc(-c4ccc(-c5cccc(C)n5)cc4)nc(-c4cccc(C)n4)n3)cc2)N1
InChIInChI=1S/C33H28N6/c1-21-7-4-10-28(34-21)24-13-17-26(18-14-24)31-37-32(39-33(38-31)30-12-6-9-23(3)36-30)27-19-15-25(16-20-27)29-11-5-8-22(2)35-29/h4-20,28,34H,1-3H3
InChIKeyHOFWNEXGOLSZGY-UHFFFAOYSA-N
MW508.63 g/mol
LogP7.05
Rot. Bonds5

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

2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 122431249) has the molecular formula C33H28N6 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
PubChem CID122431249
Molecular FormulaC33H28N6
Molecular Weight508.63 g/mol
Exact Mass508.24
IUPAC Name2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESCC1=CC=CC(c2ccc(-c3nc(-c4ccc(-c5cccc(C)n5)cc4)nc(-c4cccc(C)n4)n3)cc2)N1
InChIInChI=1S/C33H28N6/c1-21-7-4-10-28(34-21)24-13-17-26(18-14-24)31-37-32(39-33(38-31)30-12-6-9-23(3)36-30)27-19-15-25(16-20-27)29-11-5-8-22(2)35-29/h4-20,28,34H,1-3H3
InChIKeyHOFWNEXGOLSZGY-UHFFFAOYSA-N
XLogP7.05
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine (CID 122431249) is 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine is CC1=CC=CC(c2ccc(-c3nc(-c4ccc(-c5cccc(C)n5)cc4)nc(-c4cccc(C)n4)n3)cc2)N1.
What is the InChIKey of 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine?
The InChIKey is HOFWNEXGOLSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6/c1-21-7-4-10-28(34-21)24-13-17-26(18-14-24)31-37-32(39-33(38-31)30-12-6-9-23(3)36-30)27-19-15-25(16-20-27)29-11-5-8-22(2)35-29/h4-20,28,34H,1-3H3.
What are the key properties of 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine?
2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 508.63 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-4-(6-methyl-2-pyridinyl)-6-[4-(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 122431249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).