(10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)

C38H24N6Ru — CID 171396485

IUPAC(10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)
SMILES[N-]=C1C(=[N-])c2ccccc2-c2ccccc21.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;2*1-8H;/q-2;;;+2
InChIKeyDPLLYXNQCPGDPJ-UHFFFAOYSA-N
MW665.72 g/mol
LogP8.65
Rot. Bonds

About (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)

(10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+) (PubChem CID 171396485) has the molecular formula C38H24N6Ru and a molecular weight of 665.72 g/mol. Its IUPAC name is (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+).

Molecular Properties

Compound Name(10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)
PubChem CID171396485
Molecular FormulaC38H24N6Ru
Molecular Weight665.72 g/mol
Exact Mass666.11
IUPAC Name(10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)
SMILES[N-]=C1C(=[N-])c2ccccc2-c2ccccc21.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;2*1-8H;/q-2;;;+2
InChIKeyDPLLYXNQCPGDPJ-UHFFFAOYSA-N
XLogP8.65
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.72
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)?
The IUPAC name of (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+) (CID 171396485) is (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+).
What is the SMILES notation for (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)?
The canonical SMILES for (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+) is [N-]=C1C(=[N-])c2ccccc2-c2ccccc21.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)?
The InChIKey is DPLLYXNQCPGDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;2*1-8H;/q-2;;;+2.
What are the key properties of (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+)?
(10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+) has a molecular weight of 665.72 g/mol, XLogP of 8.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-azanidylidenephenanthren-9-ylidene)azanide;bis(1,10-phenanthroline);ruthenium(2+) is sourced from PubChem (CID 171396485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).