N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium

C37H27N7Ru — CID 140567742

IUPACN-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium
SMILESCNc1ccnc2c1ccc1cccnc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H11N3.2C12H8N2.Ru/c1-14-11-6-8-16-13-10(11)5-4-9-3-2-7-15-12(9)13;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2-8H,1H3,(H,14,16);2*1-8H;
InChIKeySWSHBBLIGWVTBR-UHFFFAOYSA-N
MW670.74 g/mol
LogP8.39
Rot. Bonds1

About N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium

N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium (PubChem CID 140567742) has the molecular formula C37H27N7Ru and a molecular weight of 670.74 g/mol. Its IUPAC name is N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound NameN-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium
PubChem CID140567742
Molecular FormulaC37H27N7Ru
Molecular Weight670.74 g/mol
Exact Mass671.14
IUPAC NameN-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium
SMILESCNc1ccnc2c1ccc1cccnc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H11N3.2C12H8N2.Ru/c1-14-11-6-8-16-13-10(11)5-4-9-3-2-7-15-12(9)13;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2-8H,1H3,(H,14,16);2*1-8H;
InChIKeySWSHBBLIGWVTBR-UHFFFAOYSA-N
XLogP8.39
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.74
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium?
The IUPAC name of N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium (CID 140567742) is N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium is CNc1ccnc2c1ccc1cccnc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium?
The InChIKey is SWSHBBLIGWVTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.2C12H8N2.Ru/c1-14-11-6-8-16-13-10(11)5-4-9-3-2-7-15-12(9)13;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2-8H,1H3,(H,14,16);2*1-8H;.
What are the key properties of N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium?
N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium has a molecular weight of 670.74 g/mol, XLogP of 8.39, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 140567742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).