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

C29H19N7 — CID 59273782

IUPAC2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C29H19N7/c1-2-10-20(11-3-1)27-34-28(25-16-8-14-23(32-25)21-12-4-6-18-30-21)36-29(35-27)26-17-9-15-24(33-26)22-13-5-7-19-31-22/h1-19H
InChIKeyNDJFMWHHOHDKSL-UHFFFAOYSA-N
MW465.52 g/mol
LogP5.79
Rot. Bonds5

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

2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 59273782) has the molecular formula C29H19N7 and a molecular weight of 465.52 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
PubChem CID59273782
Molecular FormulaC29H19N7
Molecular Weight465.52 g/mol
Exact Mass465.17
IUPAC Name2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C29H19N7/c1-2-10-20(11-3-1)27-34-28(25-16-8-14-23(32-25)21-12-4-6-18-30-21)36-29(35-27)26-17-9-15-24(33-26)22-13-5-7-19-31-22/h1-19H
InChIKeyNDJFMWHHOHDKSL-UHFFFAOYSA-N
XLogP5.79
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273746
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139184896
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium
CID 158277404
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (CID 59273782) is 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is NDJFMWHHOHDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N7/c1-2-10-20(11-3-1)27-34-28(25-16-8-14-23(32-25)21-12-4-6-18-30-21)36-29(35-27)26-17-9-15-24(33-26)22-13-5-7-19-31-22/h1-19H.
What are the key properties of 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 465.52 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 59273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).