iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole

C16H13IrN2- — CID 59348230

IUPACiridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole
SMILESCn1cnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[Ir]
InChIInChI=1S/C16H13N2.Ir/c1-18-11-16(17-12-18)15-9-5-8-14(10-15)13-6-3-2-4-7-13;/h2-8,10-12H,1H3;/q-1;
InChIKeyPRMLIADONATZQG-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.55
Rot. Bonds2

About iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole

iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole (PubChem CID 59348230) has the molecular formula C16H13IrN2- and a molecular weight of 425.51 g/mol. Its IUPAC name is iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole.

Molecular Properties

Compound Nameiridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole
PubChem CID59348230
Molecular FormulaC16H13IrN2-
Molecular Weight425.51 g/mol
Exact Mass426.07
IUPAC Nameiridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole
SMILESCn1cnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[Ir]
InChIInChI=1S/C16H13N2.Ir/c1-18-11-16(17-12-18)15-9-5-8-14(10-15)13-6-3-2-4-7-13;/h2-8,10-12H,1H3;/q-1;
InChIKeyPRMLIADONATZQG-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole 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-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid
CID 59657094
iridium;4-(2,3,4,5,6-pentakis-phenylphenyl)-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-6-id-1-yl]pyridine
CID 153429636
bis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;bis(4-(2-methylpropyl)-2-phenylpyridine)
CID 158115566
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
CID 140587226
iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
CID 59294837
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 158744529
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786291
iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 176849305

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole?
The IUPAC name of iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole (CID 59348230) is iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole.
What is the SMILES notation for iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole?
The canonical SMILES for iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole is Cn1cnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[Ir].
What is the InChIKey of iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole?
The InChIKey is PRMLIADONATZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.Ir/c1-18-11-16(17-12-18)15-9-5-8-14(10-15)13-6-3-2-4-7-13;/h2-8,10-12H,1H3;/q-1;.
What are the key properties of iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole?
iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole has a molecular weight of 425.51 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole is sourced from PubChem (CID 59348230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).