bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium

C54H37N5O4Ru — CID 155727866

IUPACbis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium
SMILESO=[N+]([O-])c1ccc(O)c(O)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.C6H5NO4.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;8-5-2-1-4(7(10)11)3-6(5)9;/h2*1-16H;1-3,8-9H;
InChIKeyAKHFNAHIEPREQE-UHFFFAOYSA-N
MW920.99 g/mol
LogP13.24
Rot. Bonds5

About bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium

bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium (PubChem CID 155727866) has the molecular formula C54H37N5O4Ru and a molecular weight of 920.99 g/mol. Its IUPAC name is bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium.

Molecular Properties

Compound Namebis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium
PubChem CID155727866
Molecular FormulaC54H37N5O4Ru
Molecular Weight920.99 g/mol
Exact Mass921.19
IUPAC Namebis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium
SMILESO=[N+]([O-])c1ccc(O)c(O)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.C6H5NO4.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;8-5-2-1-4(7(10)11)3-6(5)9;/h2*1-16H;1-3,8-9H;
InChIKeyAKHFNAHIEPREQE-UHFFFAOYSA-N
XLogP13.24
TPSA135.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.99
LogP ≤ 513.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-nitro-4-phenylquinolin-8-ol
CID 166150148
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
CID 173166760
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
CID 158177227
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-(6-nitro-4-phenylquinolin-2-yl)benzene-1,4-diol;hydrochloride
CID 135882421
bis(5-phenylquinolin-8-ol);zinc
CID 59818569

Frequently Asked Questions

What is the IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium?
The IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium (CID 155727866) is bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium.
What is the SMILES notation for bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium?
The canonical SMILES for bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium is O=[N+]([O-])c1ccc(O)c(O)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium?
The InChIKey is AKHFNAHIEPREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C6H5NO4.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;8-5-2-1-4(7(10)11)3-6(5)9;/h2*1-16H;1-3,8-9H;.
What are the key properties of bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium?
bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium has a molecular weight of 920.99 g/mol, XLogP of 13.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium is sourced from PubChem (CID 155727866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).