iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline

C31H21IrN3-2 — CID 58421009

IUPACiridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline
SMILES[Ir].[c-]1ccccc1-c1cc(-c2ccc3ccccc3n2)ccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C20H13N2.C11H8N.Ir/c1-2-6-15(7-3-1)20-14-17(12-13-21-20)19-11-10-16-8-4-5-9-18(16)22-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-14H;1-6,8-9H;/q2*-1;
InChIKeySNYBTVZFOIKISW-UHFFFAOYSA-N
MW627.75 g/mol
LogP7.31
Rot. Bonds3

About iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline

iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline (PubChem CID 58421009) has the molecular formula C31H21IrN3-2 and a molecular weight of 627.75 g/mol. Its IUPAC name is iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline
PubChem CID58421009
Molecular FormulaC31H21IrN3-2
Molecular Weight627.75 g/mol
Exact Mass628.14
IUPAC Nameiridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline
SMILES[Ir].[c-]1ccccc1-c1cc(-c2ccc3ccccc3n2)ccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C20H13N2.C11H8N.Ir/c1-2-6-15(7-3-1)20-14-17(12-13-21-20)19-11-10-16-8-4-5-9-18(16)22-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-14H;1-6,8-9H;/q2*-1;
InChIKeySNYBTVZFOIKISW-UHFFFAOYSA-N
XLogP7.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline 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

Latrepirdine
CID 197033
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
Decussine
CID 156336
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
3-((E)-Styryl)-quinoline
CID 10243001
6,6'-Biquinoline
CID 620711
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707
Isocryptolepine
CID 380925
Usambarensine
CID 5281413
2-(N-3-Pyridylformimidoyl)quinoline
CID 97129
2-(2-Pyridinyl)quinoline
CID 609911

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
The IUPAC name of iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline (CID 58421009) is iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline.
What is the SMILES notation for iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
The canonical SMILES for iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline is [Ir].[c-]1ccccc1-c1cc(-c2ccc3ccccc3n2)ccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
The InChIKey is SNYBTVZFOIKISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N2.C11H8N.Ir/c1-2-6-15(7-3-1)20-14-17(12-13-21-20)19-11-10-16-8-4-5-9-18(16)22-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-14H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline has a molecular weight of 627.75 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline is sourced from PubChem (CID 58421009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).