10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium

C39H24N12Ru — CID 78333414

IUPAC10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESCc1cccc2nc3c4cccnc4c4ncccc4c3nc12.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-5-2-8-14-15(11)23-19-13-7-4-10-21-17(13)16-12(18(19)22-14)6-3-9-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h2-10H,1H3;2*1-6H;
InChIKeySLVZAPNKJVAMQU-UHFFFAOYSA-N
MW761.78 g/mol
LogP7.33
Rot. Bonds

About 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium

10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (PubChem CID 78333414) has the molecular formula C39H24N12Ru and a molecular weight of 761.78 g/mol. Its IUPAC name is 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.

Molecular Properties

Compound Name10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
PubChem CID78333414
Molecular FormulaC39H24N12Ru
Molecular Weight761.78 g/mol
Exact Mass762.13
IUPAC Name10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESCc1cccc2nc3c4cccnc4c4ncccc4c3nc12.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-5-2-8-14-15(11)23-19-13-7-4-10-21-17(13)16-12(18(19)22-14)6-3-9-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h2-10H,1H3;2*1-6H;
InChIKeySLVZAPNKJVAMQU-UHFFFAOYSA-N
XLogP7.33
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.78
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The IUPAC name of 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (CID 78333414) is 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.
What is the SMILES notation for 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The canonical SMILES for 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is Cc1cccc2nc3c4cccnc4c4ncccc4c3nc12.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.
What is the InChIKey of 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The InChIKey is SLVZAPNKJVAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-5-2-8-14-15(11)23-19-13-7-4-10-21-17(13)16-12(18(19)22-14)6-3-9-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h2-10H,1H3;2*1-6H;.
What are the key properties of 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium has a molecular weight of 761.78 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is sourced from PubChem (CID 78333414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).