3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium

C40H30N8Ru — CID 140706892

IUPAC3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H14N4.2C10H8N2.Ru/c1-11-7-9-13-17(21-11)18-14(10-8-12(2)22-18)20-19(13)23-15-5-3-4-6-16(15)24-20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-10H,1-2H3;2*1-8H;
InChIKeyDNFDVJKOHSNIRH-UHFFFAOYSA-N
MW723.81 g/mol
LogP8.78
Rot. Bonds2

About 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium

3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 140706892) has the molecular formula C40H30N8Ru and a molecular weight of 723.81 g/mol. Its IUPAC name is 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID140706892
Molecular FormulaC40H30N8Ru
Molecular Weight723.81 g/mol
Exact Mass724.16
IUPAC Name3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H14N4.2C10H8N2.Ru/c1-11-7-9-13-17(21-11)18-14(10-8-12(2)22-18)20-19(13)23-15-5-3-4-6-16(15)24-20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-10H,1-2H3;2*1-8H;
InChIKeyDNFDVJKOHSNIRH-UHFFFAOYSA-N
XLogP8.78
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.81
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium (CID 140706892) is 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium is Cc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is DNFDVJKOHSNIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4.2C10H8N2.Ru/c1-11-7-9-13-17(21-11)18-14(10-8-12(2)22-18)20-19(13)23-15-5-3-4-6-16(15)24-20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-10H,1-2H3;2*1-8H;.
What are the key properties of 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium?
3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 723.81 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 140706892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).