bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate

C38H36F6N6OsP- — CID 71715003

IUPACbis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
SMILESCN(C)c1ccc(-c2ccccn2)cc1.CN(C)c1ccc(-c2ccccn2)cc1.F[P-](F)(F)(F)(F)F.[Os].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C13H14N2.C12H8N2.F6P.Os/c2*1-15(2)12-8-6-11(7-9-12)13-5-3-4-10-14-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7(2,3,4,5)6;/h2*3-10H,1-2H3;1-8H;;/q;;;-1;
InChIKeyPUYWZAZFRCBUPZ-UHFFFAOYSA-N
MW911.94 g/mol
LogP11.79
Rot. Bonds4

About bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate

bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate (PubChem CID 71715003) has the molecular formula C38H36F6N6OsP- and a molecular weight of 911.94 g/mol. Its IUPAC name is bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate.

Molecular Properties

Compound Namebis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
PubChem CID71715003
Molecular FormulaC38H36F6N6OsP-
Molecular Weight911.94 g/mol
Exact Mass913.23
IUPAC Namebis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
SMILESCN(C)c1ccc(-c2ccccn2)cc1.CN(C)c1ccc(-c2ccccn2)cc1.F[P-](F)(F)(F)(F)F.[Os].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C13H14N2.C12H8N2.F6P.Os/c2*1-15(2)12-8-6-11(7-9-12)13-5-3-4-10-14-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7(2,3,4,5)6;/h2*3-10H,1-2H3;1-8H;;/q;;;-1;
InChIKeyPUYWZAZFRCBUPZ-UHFFFAOYSA-N
XLogP11.79
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.94
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate?
The IUPAC name of bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate (CID 71715003) is bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate.
What is the SMILES notation for bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate?
The canonical SMILES for bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate is CN(C)c1ccc(-c2ccccn2)cc1.CN(C)c1ccc(-c2ccccn2)cc1.F[P-](F)(F)(F)(F)F.[Os].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate?
The InChIKey is PUYWZAZFRCBUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14N2.C12H8N2.F6P.Os/c2*1-15(2)12-8-6-11(7-9-12)13-5-3-4-10-14-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7(2,3,4,5)6;/h2*3-10H,1-2H3;1-8H;;/q;;;-1;.
What are the key properties of bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate?
bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate has a molecular weight of 911.94 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate is sourced from PubChem (CID 71715003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).