bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium

C74H48Br2N16Ru2 — CID 139159337

IUPACbis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Ru].[Ru].c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C32H20N10.2C21H14BrN3.2Ru/c1-5-17-33-23(9-1)29-37-27(38-30(41-29)24-10-2-6-18-34-24)21-13-15-22(16-14-21)28-39-31(25-11-3-7-19-35-25)42-32(40-28)26-12-4-8-20-36-26;2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;;/h1-20H;2*1-14H;;
InChIKeyFTCCTVKQNZJCSK-UHFFFAOYSA-N
MW1523.26 g/mol
LogP16.90
Rot. Bonds12

About bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium

bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium (PubChem CID 139159337) has the molecular formula C74H48Br2N16Ru2 and a molecular weight of 1523.26 g/mol. Its IUPAC name is bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium.

Molecular Properties

Compound Namebis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium
PubChem CID139159337
Molecular FormulaC74H48Br2N16Ru2
Molecular Weight1523.26 g/mol
Exact Mass1522.07
IUPAC Namebis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Ru].[Ru].c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C32H20N10.2C21H14BrN3.2Ru/c1-5-17-33-23(9-1)29-37-27(38-30(41-29)24-10-2-6-18-34-24)21-13-15-22(16-14-21)28-39-31(25-11-3-7-19-35-25)42-32(40-28)26-12-4-8-20-36-26;2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;;/h1-20H;2*1-14H;;
InChIKeyFTCCTVKQNZJCSK-UHFFFAOYSA-N
XLogP16.90
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.26
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium?
The IUPAC name of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium (CID 139159337) is bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium.
What is the SMILES notation for bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium?
The canonical SMILES for bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium is Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Ru].[Ru].c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium?
The InChIKey is FTCCTVKQNZJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N10.2C21H14BrN3.2Ru/c1-5-17-33-23(9-1)29-37-27(38-30(41-29)24-10-2-6-18-34-24)21-13-15-22(16-14-21)28-39-31(25-11-3-7-19-35-25)42-32(40-28)26-12-4-8-20-36-26;2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;;/h1-20H;2*1-14H;;.
What are the key properties of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium?
bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium has a molecular weight of 1523.26 g/mol, XLogP of 16.90, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;ruthenium is sourced from PubChem (CID 139159337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).