bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium

C38H29N7ORu — CID 59008922

IUPACbis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium
SMILESNCCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H13N3O.2C12H8N2.Ru/c15-5-8-18-12-9-10-3-1-6-16-13(10)14-11(12)4-2-7-17-14;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-4,6-7,9H,5,8,15H2;2*1-8H;
InChIKeyLPXYRPFHAGYECB-UHFFFAOYSA-N
MW700.77 g/mol
LogP7.68
Rot. Bonds3

About bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium

bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium (PubChem CID 59008922) has the molecular formula C38H29N7ORu and a molecular weight of 700.77 g/mol. Its IUPAC name is bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium.

Molecular Properties

Compound Namebis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium
PubChem CID59008922
Molecular FormulaC38H29N7ORu
Molecular Weight700.77 g/mol
Exact Mass701.15
IUPAC Namebis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium
SMILESNCCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H13N3O.2C12H8N2.Ru/c15-5-8-18-12-9-10-3-1-6-16-13(10)14-11(12)4-2-7-17-14;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-4,6-7,9H,5,8,15H2;2*1-8H;
InChIKeyLPXYRPFHAGYECB-UHFFFAOYSA-N
XLogP7.68
TPSA112.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.77
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline
CID 44587499
N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine)
CID 72199317
6-methoxy-N-[5-[4-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxymethyl]triazol-1-yl]pentan-2-yl]quinolin-8-amine
CID 177645577
6-methoxy-N-[5-[4-[(1-methyl-9H-pyrido[3,4-b]indol-6-yl)oxymethyl]triazol-1-yl]pentan-2-yl]quinolin-8-amine
CID 177655169
6-methoxy-5-[6-methoxy-8-[5-[4-[(1-methyl-9H-pyrido[3,4-b]indol-6-yl)oxymethyl]triazol-1-yl]pentan-2-ylamino]quinolin-5-yl]-N-[5-[4-[(1-methyl-9H-pyrido[3,4-b]indol-6-yl)oxymethyl]triazol-1-yl]pentan-2-yl]quinolin-8-amine
CID 177655683
N,N-dimethyl-3-[5-(1,10-phenanthrolin-4-yl)pentoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058672
N,N-dimethyl-3-[6-(1,10-phenanthrolin-4-yl)hexoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058674
N,N-dimethyl-3-[7-(1,10-phenanthrolin-4-yl)heptoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058676
N,N-dimethyl-3-[9-(1,10-phenanthrolin-4-yl)nonoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058678
N,N-dimethyl-3-[11-(1,10-phenanthrolin-4-yl)undecoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058680
Bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139142275

Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium?
The IUPAC name of bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium (CID 59008922) is bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium.
What is the SMILES notation for bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium?
The canonical SMILES for bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium is NCCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium?
The InChIKey is LPXYRPFHAGYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.2C12H8N2.Ru/c15-5-8-18-12-9-10-3-1-6-16-13(10)14-11(12)4-2-7-17-14;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-4,6-7,9H,5,8,15H2;2*1-8H;.
What are the key properties of bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium?
bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium has a molecular weight of 700.77 g/mol, XLogP of 7.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium is sourced from PubChem (CID 59008922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).