bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)

C41H42F4N6ORu — CID 153419625

IUPACbis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)
SMILESCCCCCCOc1c(F)c(F)c(/C(=C2\CCC[N-]2)C2CCC[N-]2)c(F)c1F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C21H26F4N2O.2C10H8N2.Ru/c1-2-3-4-5-12-28-21-19(24)17(22)16(18(23)20(21)25)15(13-8-6-10-26-13)14-9-7-11-27-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h13H,2-12H2,1H3;2*1-8H;/q-2;;;+2/b15-14+;;;
InChIKeyBPPUTKOPBDIRGK-RBIFHYOVSA-N
MW811.89 g/mol
LogP10.90
Rot. Bonds10

About bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)

bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) (PubChem CID 153419625) has the molecular formula C41H42F4N6ORu and a molecular weight of 811.89 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+).

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)
PubChem CID153419625
Molecular FormulaC41H42F4N6ORu
Molecular Weight811.89 g/mol
Exact Mass812.24
IUPAC Namebis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)
SMILESCCCCCCOc1c(F)c(F)c(/C(=C2\CCC[N-]2)C2CCC[N-]2)c(F)c1F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C21H26F4N2O.2C10H8N2.Ru/c1-2-3-4-5-12-28-21-19(24)17(22)16(18(23)20(21)25)15(13-8-6-10-26-13)14-9-7-11-27-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h13H,2-12H2,1H3;2*1-8H;/q-2;;;+2/b15-14+;;;
InChIKeyBPPUTKOPBDIRGK-RBIFHYOVSA-N
XLogP10.90
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.89
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360
tetracopper;bis([4-[di(pyrrol-1-id-2-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-(pyridin-2-ylmethyl)oxidanium);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(2-[[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenoxy]methyl]pyridine)
CID 139049072
3-Butyl-1-(4-methoxyphenyl)-6-(trifluoromethyl)indolizine
CID 139186101
{Tris[5-(4-butyloxytetrafluorophenyl)dipyrrin]}-iron(III)
CID 139173273
[1-[6-[(Z)-C-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-N-[(8S)-12-fluoro-4-methyl-6-(4-methyl-2-pyridinyl)-7,9-diazoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]carbonimidoyl]-4-(2-heptyl-4-hexoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobutyl]azanide;ruthenium(1+)
CID 145592949
Tris[2-[(4-butoxy-2,3,5,6-tetrafluorophenyl)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]gallane
CID 148217204
tris[2-[(Z)-pyrrol-2-ylidene-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methyl]pyrrol-1-yl]gallane
CID 153419609
tris[2-[(Z)-(4-butoxy-2,3,5,6-tetrafluorophenyl)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]indigane
CID 153419612
tris[2-[(Z)-pyrrol-2-ylidene-(2,3,5,6-tetrafluoro-4-prop-2-ynoxyphenyl)methyl]pyrrol-1-yl]indigane
CID 153419622
tris[2-[(Z)-(4-butoxy-2,3,5,6-tetrafluorophenyl)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]gallane
CID 153419623
tris[2-[(Z)-pyrrol-2-ylidene-(2,3,5,6-tetrafluoro-4-prop-2-ynoxyphenyl)methyl]pyrrol-1-yl]gallane
CID 153419630
tris[2-[(Z)-pyrrol-2-ylidene-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methyl]pyrrol-1-yl]indigane
CID 153419634

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
The IUPAC name of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) (CID 153419625) is bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+).
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) is CCCCCCOc1c(F)c(F)c(/C(=C2\CCC[N-]2)C2CCC[N-]2)c(F)c1F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
The InChIKey is BPPUTKOPBDIRGK-RBIFHYOVSA-N. The full InChI is InChI=1S/C21H26F4N2O.2C10H8N2.Ru/c1-2-3-4-5-12-28-21-19(24)17(22)16(18(23)20(21)25)15(13-8-6-10-26-13)14-9-7-11-27-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h13H,2-12H2,1H3;2*1-8H;/q-2;;;+2/b15-14+;;;.
What are the key properties of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) has a molecular weight of 811.89 g/mol, XLogP of 10.90, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-hexoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) is sourced from PubChem (CID 153419625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).