iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine

C25H17IrN2- — CID 176849305

IUPACiridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
SMILES[C-]#[N+]c1cccc(-c2cnc(-c3[c-]ccc(-c4ccccc4)c3)cc2C)c1.[Ir]
InChIInChI=1S/C25H17N2.Ir/c1-18-14-25(27-17-24(18)21-11-7-13-23(16-21)26-2)22-12-6-10-20(15-22)19-8-4-3-5-9-19;/h3-11,13-17H,1H3;/q-1;
InChIKeyDCRLYCNQLVEUJP-UHFFFAOYSA-N
MW537.64 g/mol
LogP6.74
Rot. Bonds3

About iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine

iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine (PubChem CID 176849305) has the molecular formula C25H17IrN2- and a molecular weight of 537.64 g/mol. Its IUPAC name is iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
PubChem CID176849305
Molecular FormulaC25H17IrN2-
Molecular Weight537.64 g/mol
Exact Mass538.10
IUPAC Nameiridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
SMILES[C-]#[N+]c1cccc(-c2cnc(-c3[c-]ccc(-c4ccccc4)c3)cc2C)c1.[Ir]
InChIInChI=1S/C25H17N2.Ir/c1-18-14-25(27-17-24(18)21-11-7-13-23(16-21)26-2)22-12-6-10-20(15-22)19-8-4-3-5-9-19;/h3-11,13-17H,1H3;/q-1;
InChIKeyDCRLYCNQLVEUJP-UHFFFAOYSA-N
XLogP6.74
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.64
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine 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

iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
CID 58401094
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
iridium;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
9-ethyl-3-[5-(3-isocyanophenyl)-4-methyl-2-pyridinyl]-2H-pyrido[2,3-b]indol-2-ide;iridium
CID 176849293
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 158946315
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
CID 140587226

Frequently Asked Questions

What is the IUPAC name of iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
The IUPAC name of iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine (CID 176849305) is iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine is [C-]#[N+]c1cccc(-c2cnc(-c3[c-]ccc(-c4ccccc4)c3)cc2C)c1.[Ir].
What is the InChIKey of iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
The InChIKey is DCRLYCNQLVEUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N2.Ir/c1-18-14-25(27-17-24(18)21-11-7-13-23(16-21)26-2)22-12-6-10-20(15-22)19-8-4-3-5-9-19;/h3-11,13-17H,1H3;/q-1;.
What are the key properties of iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine has a molecular weight of 537.64 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 176849305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).