(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium

C37H31IN11PY — CID 158277404

IUPAC(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium
SMILES[2H][IH]P.[Y].c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C19H13N5.C10H8N2.C8H6N4.H4IP.Y/c1-2-8-14(9-3-1)17-22-18(15-10-4-6-12-20-15)24-19(23-17)16-11-5-7-13-21-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2;/h1-13H;1-8H;1-6H;1-2H2;/i;;;1D;
InChIKeyJUOYNMXSXNWFPD-JLMMQWLNSA-N
MW877.52 g/mol
LogP7.41
Rot. Bonds5

About (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium

(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium (PubChem CID 158277404) has the molecular formula C37H31IN11PY and a molecular weight of 877.52 g/mol. Its IUPAC name is (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium.

Molecular Properties

Compound Name(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium
PubChem CID158277404
Molecular FormulaC37H31IN11PY
Molecular Weight877.52 g/mol
Exact Mass877.07
IUPAC Name(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium
SMILES[2H][IH]P.[Y].c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C19H13N5.C10H8N2.C8H6N4.H4IP.Y/c1-2-8-14(9-3-1)17-22-18(15-10-4-6-12-20-15)24-19(23-17)16-11-5-7-13-21-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2;/h1-13H;1-8H;1-6H;1-2H2;/i;;;1D;
InChIKeyJUOYNMXSXNWFPD-JLMMQWLNSA-N
XLogP7.41
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.52
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
CID 139150015
CID 139150015
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
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
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
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
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157

Frequently Asked Questions

What is the IUPAC name of (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium?
The IUPAC name of (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) is (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium.
What is the SMILES notation for (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium?
The canonical SMILES for (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium is [2H][IH]P.[Y].c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium?
The InChIKey is JUOYNMXSXNWFPD-JLMMQWLNSA-N. The full InChI is InChI=1S/C19H13N5.C10H8N2.C8H6N4.H4IP.Y/c1-2-8-14(9-3-1)17-22-18(15-10-4-6-12-20-15)24-19(23-17)16-11-5-7-13-21-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2;/h1-13H;1-8H;1-6H;1-2H2;/i;;;1D;.
What are the key properties of (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium?
(deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium has a molecular weight of 877.52 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (deuterio-λ3-iodanyl)phosphane;2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;yttrium is sourced from PubChem (CID 158277404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).