5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride

C50H36Cl2N6Os+4 — CID 90466727

IUPAC5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
SMILESCc1c(C)c2cccnc2c2ncccc12.[Cl-].[Cl-].[Os+6].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/2C18H12N2.C14H12N2.2ClH.Os/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;;;/h2*1-12H;3-8H,1-2H3;2*1H;/q;;;;;+6/p-2
InChIKeyYZTBKPCGYBMFEJ-UHFFFAOYSA-L
MW982.02 g/mol
LogP6.31
Rot. Bonds2

About 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride

5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride (PubChem CID 90466727) has the molecular formula C50H36Cl2N6Os+4 and a molecular weight of 982.02 g/mol. Its IUPAC name is 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride.

Molecular Properties

Compound Name5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
PubChem CID90466727
Molecular FormulaC50H36Cl2N6Os+4
Molecular Weight982.02 g/mol
Exact Mass982.20
IUPAC Name5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
SMILESCc1c(C)c2cccnc2c2ncccc12.[Cl-].[Cl-].[Os+6].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/2C18H12N2.C14H12N2.2ClH.Os/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;;;/h2*1-12H;3-8H,1-2H3;2*1H;/q;;;;;+6/p-2
InChIKeyYZTBKPCGYBMFEJ-UHFFFAOYSA-L
XLogP6.31
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.02
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);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

1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
5,6-dimethyl-1,7-phenanthroline
CID 67494959
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
5-[4-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780665
7-bromo-8-methyl-2-quinolin-2-ylquinoline
CID 175727563
5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 175634953
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
CID 70909452
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
2-phenylquinoline;quinolin-8-ol
CID 159295421
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride?
The IUPAC name of 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride (CID 90466727) is 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride.
What is the SMILES notation for 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride?
The canonical SMILES for 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride is Cc1c(C)c2cccnc2c2ncccc12.[Cl-].[Cl-].[Os+6].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride?
The InChIKey is YZTBKPCGYBMFEJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H12N2.C14H12N2.2ClH.Os/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;;;/h2*1-12H;3-8H,1-2H3;2*1H;/q;;;;;+6/p-2.
What are the key properties of 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride?
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride has a molecular weight of 982.02 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride is sourced from PubChem (CID 90466727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).