4,6-diphenylpyrimidine;iridium(3+)

C16H12IrN2+3 — CID 160559843

IUPAC4,6-diphenylpyrimidine;iridium(3+)
SMILES[Ir+3].c1ccc(-c2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12N2.Ir/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;/h1-12H;/q;+3
InChIKeyQZDUELOXUAPGCL-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.81
Rot. Bonds2

About 4,6-diphenylpyrimidine;iridium(3+)

4,6-diphenylpyrimidine;iridium(3+) (PubChem CID 160559843) has the molecular formula C16H12IrN2+3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4,6-diphenylpyrimidine;iridium(3+).

Molecular Properties

Compound Name4,6-diphenylpyrimidine;iridium(3+)
PubChem CID160559843
Molecular FormulaC16H12IrN2+3
Molecular Weight424.50 g/mol
Exact Mass425.06
IUPAC Name4,6-diphenylpyrimidine;iridium(3+)
SMILES[Ir+3].c1ccc(-c2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12N2.Ir/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;/h1-12H;/q;+3
InChIKeyQZDUELOXUAPGCL-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-diphenylpyrimidine;iridium(3+) 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

Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
N-Benzylquinazolin-4-amine
CID 616573
4-Iodo-6-phenylpyrimidine
CID 817368
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylpyrimidine;iridium(3+)?
The IUPAC name of 4,6-diphenylpyrimidine;iridium(3+) (CID 160559843) is 4,6-diphenylpyrimidine;iridium(3+).
What is the SMILES notation for 4,6-diphenylpyrimidine;iridium(3+)?
The canonical SMILES for 4,6-diphenylpyrimidine;iridium(3+) is [Ir+3].c1ccc(-c2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of 4,6-diphenylpyrimidine;iridium(3+)?
The InChIKey is QZDUELOXUAPGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.Ir/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;/h1-12H;/q;+3.
What are the key properties of 4,6-diphenylpyrimidine;iridium(3+)?
4,6-diphenylpyrimidine;iridium(3+) has a molecular weight of 424.50 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylpyrimidine;iridium(3+) is sourced from PubChem (CID 160559843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).