tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride

C72H53Cl2N6Ru-7 — CID 173290116

IUPACtris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
SMILES[Cl-].[Cl-].[H-].[H-].[H-].[H-].[H-].[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.2ClH.Ru.5H/c3*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;;;;;;;;/h3*1-16H;2*1H;;;;;;/q;;;;;;5*-1/p-2
InChIKeySEWISNPEOFXEEV-UHFFFAOYSA-L
MW1174.23 g/mol
LogP12.92
Rot. Bonds6

About tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride

tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride (PubChem CID 173290116) has the molecular formula C72H53Cl2N6Ru-7 and a molecular weight of 1174.23 g/mol. Its IUPAC name is tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride.

Molecular Properties

Compound Nametris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
PubChem CID173290116
Molecular FormulaC72H53Cl2N6Ru-7
Molecular Weight1174.23 g/mol
Exact Mass1173.28
IUPAC Nametris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
SMILES[Cl-].[Cl-].[H-].[H-].[H-].[H-].[H-].[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.2ClH.Ru.5H/c3*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;;;;;;;;/h3*1-16H;2*1H;;;;;;/q;;;;;;5*-1/p-2
InChIKeySEWISNPEOFXEEV-UHFFFAOYSA-L
XLogP12.92
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.23
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride 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

4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
4-bromo-7-phenyl-1,10-phenanthroline
CID 18759599
copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
CID 158177227
4-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]aniline
CID 102574675
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
CID 173166760
dichloro(diethyl)stannane;4,7-diphenyl-1,10-phenanthroline
CID 4574299
4-benzyl-7-phenyl-1,10-phenanthroline
CID 142216618
aluminum tris(4-phenylquinolin-8-olate)
CID 101048489
3-[3-(4,7-diphenyl-1,10-phenanthrolin-3-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
CID 146248672

Frequently Asked Questions

What is the IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride?
The IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride (CID 173290116) is tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride.
What is the SMILES notation for tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride?
The canonical SMILES for tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride is [Cl-].[Cl-].[H-].[H-].[H-].[H-].[H-].[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride?
The InChIKey is SEWISNPEOFXEEV-UHFFFAOYSA-L. The full InChI is InChI=1S/3C24H16N2.2ClH.Ru.5H/c3*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;;;;;;;;/h3*1-16H;2*1H;;;;;;/q;;;;;;5*-1/p-2.
What are the key properties of tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride?
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride has a molecular weight of 1174.23 g/mol, XLogP of 12.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride is sourced from PubChem (CID 173290116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).