[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium

C52H71N5O7Ru — CID 58250380

IUPAC[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium
SMILESCC(O)CC(C)O.CCCCCCCCCc1ccnc(N(c2ccc(OC)cc2)c2cc(CCCCCCCCC)ccn2)c1.O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru]
InChIInChI=1S/C35H51N3O.C12H8N2O4.C5H12O2.Ru/c1-4-6-8-10-12-14-16-18-30-24-26-36-34(28-30)38(32-20-22-33(39-3)23-21-32)35-29-31(25-27-37-35)19-17-15-13-11-9-7-5-2;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-4(6)3-5(2)7;/h20-29H,4-19H2,1-3H3;1-8H;4-7H,3H2,1-2H3;
InChIKeyJXLNRQMHOHQXKX-UHFFFAOYSA-N
MW979.24 g/mol
LogP11.89
Rot. Bonds27

About [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium

[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium (PubChem CID 58250380) has the molecular formula C52H71N5O7Ru and a molecular weight of 979.24 g/mol. Its IUPAC name is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium.

Molecular Properties

Compound Name[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium
PubChem CID58250380
Molecular FormulaC52H71N5O7Ru
Molecular Weight979.24 g/mol
Exact Mass979.44
IUPAC Name[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium
SMILESCC(O)CC(C)O.CCCCCCCCCc1ccnc(N(c2ccc(OC)cc2)c2cc(CCCCCCCCC)ccn2)c1.O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru]
InChIInChI=1S/C35H51N3O.C12H8N2O4.C5H12O2.Ru/c1-4-6-8-10-12-14-16-18-30-24-26-36-34(28-30)38(32-20-22-33(39-3)23-21-32)35-29-31(25-27-37-35)19-17-15-13-11-9-7-5-2;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-4(6)3-5(2)7;/h20-29H,4-19H2,1-3H3;1-8H;4-7H,3H2,1-2H3;
InChIKeyJXLNRQMHOHQXKX-UHFFFAOYSA-N
XLogP11.89
TPSA157.09 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.24
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium with MolForge

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Related Compounds

2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate
CID 58250343
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
[N-ethanimidoyl-C-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]carbonimidoyl]azanide;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701020
4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-nonylphenyl)pyridin-2-amine;N-(3,5-dimethoxyphenyl)-N-pyridin-2-ylpyridin-2-amine;2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;N-(4-fluorophenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;tetrakis((7-formyloxy-1,10-phenanthrolin-4-yl) formate);tetrakis(ruthenium(2+));octathiocyanate
CID 160602227
[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140701100
4-butyl-N-ethyl-N-methylpyridin-2-amine
CID 142596545

Frequently Asked Questions

What is the IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium?
The IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium (CID 58250380) is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium.
What is the SMILES notation for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium?
The canonical SMILES for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium is CC(O)CC(C)O.CCCCCCCCCc1ccnc(N(c2ccc(OC)cc2)c2cc(CCCCCCCCC)ccn2)c1.O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru].
What is the InChIKey of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium?
The InChIKey is JXLNRQMHOHQXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O.C12H8N2O4.C5H12O2.Ru/c1-4-6-8-10-12-14-16-18-30-24-26-36-34(28-30)38(32-20-22-33(39-3)23-21-32)35-29-31(25-27-37-35)19-17-15-13-11-9-7-5-2;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-4(6)3-5(2)7;/h20-29H,4-19H2,1-3H3;1-8H;4-7H,3H2,1-2H3;.
What are the key properties of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium?
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium has a molecular weight of 979.24 g/mol, XLogP of 11.89, 27 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium is sourced from PubChem (CID 58250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).