N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium

C37H29N7ORu — CID 140872995

IUPACN-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium
SMILESCc1ccnc(-c2cc(/C=[N+](/C)[O-])ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H13N3O.2C12H8N2.Ru/c1-10-3-5-14-12(7-10)13-8-11(4-6-15-13)9-16(2)17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-9H,1-2H3;2*1-8H;/b16-9-;;;
InChIKeyNAQDEOGANYUHHT-GVKRCPFFSA-N
MW688.76 g/mol
LogP7.57
Rot. Bonds2

About N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium

N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium (PubChem CID 140872995) has the molecular formula C37H29N7ORu and a molecular weight of 688.76 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium
PubChem CID140872995
Molecular FormulaC37H29N7ORu
Molecular Weight688.76 g/mol
Exact Mass689.15
IUPAC NameN-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium
SMILESCc1ccnc(-c2cc(/C=[N+](/C)[O-])ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H13N3O.2C12H8N2.Ru/c1-10-3-5-14-12(7-10)13-8-11(4-6-15-13)9-16(2)17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-9H,1-2H3;2*1-8H;/b16-9-;;;
InChIKeyNAQDEOGANYUHHT-GVKRCPFFSA-N
XLogP7.57
TPSA103.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.76
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, nitrate (1:2)
CID 11979834
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Bis(cyano-C)bis(1,10-phenanthroline-N1,N10)iron
CID 167165
Dichlororuthenium--4,7-diphenyl-1,10-phenanthroline (1/3)
CID 11980975
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium?
The IUPAC name of N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium (CID 140872995) is N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium is Cc1ccnc(-c2cc(/C=[N+](/C)[O-])ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium?
The InChIKey is NAQDEOGANYUHHT-GVKRCPFFSA-N. The full InChI is InChI=1S/C13H13N3O.2C12H8N2.Ru/c1-10-3-5-14-12(7-10)13-8-11(4-6-15-13)9-16(2)17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-9H,1-2H3;2*1-8H;/b16-9-;;;.
What are the key properties of N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium?
N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium has a molecular weight of 688.76 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanimine oxide;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 140872995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).