bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium

C163H142Br2N18OP2Ru2 — CID 159936276

About bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium

bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium (PubChem CID 159936276) has the molecular formula C163H142Br2N18OP2Ru2 and a molecular weight of 2792.95 g/mol. Its IUPAC name is bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium.

Molecular Properties

• Compound Name: bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium
• PubChem CID: 159936276
• Molecular Formula: C163H142Br2N18OP2Ru2
• Molecular Weight: 2792.95 g/mol
• Exact Mass: 2790.75
• IUPAC Name: bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium
• SMILES: C.C.Cc1cc(/C=C/c2ccc(-c3ccccn3)nc2)c(C)cc1/C=C/c1ccc(-c2ccccn2)nc1.Cc1cc(/C=C/c2ccc(-c3ccccn3)nc2)c(C)cc1/C=C/c1ccc(-c2ccccn2)nc1.Cc1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(-c2ccccn2)nc1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C46H42Br2P2.2C32H26N4.C11H8N2O.4C10H8N2.2CH4.2Ru/c1-37-33-40(36-50(48,44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)38(2)34-39(37)35-49(47,41-21-9-3-10-22-41,42-23-11-4-12-24-42)43-25-13-5-14-26-43;2*1-23-19-28(14-10-26-12-16-32(36-22-26)30-8-4-6-18-34-30)24(2)20-27(23)13-9-25-11-15-31(35-21-25)29-7-3-5-17-33-29;14-8-9-4-5-11(13-7-9)10-3-1-2-6-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h3-34H,35-36H2,1-2H3;2*3-22H,1-2H3;1-8H;4*1-8H;2*1H4;;/b;2*13-9+,14-10+
• InChIKey: OAHFRJRTBCCAEV-UYGBUCTDSA-N
• XLogP: 37.90
• TPSA: 249.09 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.95
LogP ≤ 5	37.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium?

The IUPAC name of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium (CID 159936276) is bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium.

What is the SMILES notation for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium?

The canonical SMILES for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium is C.C.Cc1cc(/C=C/c2ccc(-c3ccccn3)nc2)c(C)cc1/C=C/c1ccc(-c2ccccn2)nc1.Cc1cc(/C=C/c2ccc(-c3ccccn3)nc2)c(C)cc1/C=C/c1ccc(-c2ccccn2)nc1.Cc1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(-c2ccccn2)nc1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium?

The InChIKey is OAHFRJRTBCCAEV-UYGBUCTDSA-N. The full InChI is InChI=1S/C46H42Br2P2.2C32H26N4.C11H8N2O.4C10H8N2.2CH4.2Ru/c1-37-33-40(36-50(48,44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)38(2)34-39(37)35-49(47,41-21-9-3-10-22-41,42-23-11-4-12-24-42)43-25-13-5-14-26-43;2*1-23-19-28(14-10-26-12-16-32(36-22-26)30-8-4-6-18-34-30)24(2)20-27(23)13-9-25-11-15-31(35-21-25)29-7-3-5-17-33-29;14-8-9-4-5-11(13-7-9)10-3-1-2-6-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h3-34H,35-36H2,1-2H3;2*3-22H,1-2H3;1-8H;4*1-8H;2*1H4;;/b;2*13-9+,14-10+;;;;;;;;;.

What are the key properties of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium?

bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium has a molecular weight of 2792.95 g/mol, XLogP of 37.90, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethylphenyl]methyl]-triphenyl-λ5-phosphane;bis(5-[(E)-2-[2,5-dimethyl-4-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-pyridin-2-ylpyridine);methane;tetrakis(2-pyridin-2-ylpyridine);6-pyridin-2-ylpyridine-3-carbaldehyde;ruthenium is sourced from PubChem (CID 159936276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).