iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)

C44H37IrN4 — CID 59500188

IUPACiridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)
SMILESCc1ccnc(-c2[c-]cc3c4ccccc4n(CC(C)C)c3c2)c1.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H21N2.2C11H8N.Ir/c1-15(2)14-24-21-7-5-4-6-18(21)19-9-8-17(13-22(19)24)20-12-16(3)10-11-23-20;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-7,9-13,15H,14H2,1-3H3;2*1-6,8-9H;/q3*-1;+3
InChIKeyPQYYOWXISBVOGQ-UHFFFAOYSA-N
MW814.03 g/mol
LogP10.72
Rot. Bonds5

About iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)

iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine) (PubChem CID 59500188) has the molecular formula C44H37IrN4 and a molecular weight of 814.03 g/mol. Its IUPAC name is iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine).

Molecular Properties

Compound Nameiridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)
PubChem CID59500188
Molecular FormulaC44H37IrN4
Molecular Weight814.03 g/mol
Exact Mass814.26
IUPAC Nameiridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)
SMILESCc1ccnc(-c2[c-]cc3c4ccccc4n(CC(C)C)c3c2)c1.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H21N2.2C11H8N.Ir/c1-15(2)14-24-21-7-5-4-6-18(21)19-9-8-17(13-22(19)24)20-12-16(3)10-11-23-20;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-7,9-13,15H,14H2,1-3H3;2*1-6,8-9H;/q3*-1;+3
InChIKeyPQYYOWXISBVOGQ-UHFFFAOYSA-N
XLogP10.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.03
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine) 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(3+);9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500152
4-ethyl-5-phenyl-2-phenylpyridine;iridium;9-(2-methylpropyl)-2-pyridin-2-yl-3H-carbazol-3-ide
CID 59500290
iridium;1-methanidyl-2-phenylpyridin-1-ium;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide;2-phenylpyridine
CID 170925036
iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide
CID 59500281
iridium(3+);9-(2-methylpropyl)-1-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500210
4-ethyl-1-methanidyl-2-(2-methanidylphenyl)-5-phenylpyridin-1-ium;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);iridium(3+);9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide;9-(2-methylpropyl)-2-pyridin-2-yl-3H-carbazol-3-ide;9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide
CID 158602905
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
4-(1,1-dideuterio-2-methylpropyl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 164792157
iridium;2-(9-methyl-10-propan-2-yl-3H-phenanthren-3-id-2-yl)-4-propan-2-ylpyridine;2-phenylpyridine
CID 164792210
[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine
CID 164706399
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
9-ethyl-2-pyridin-2-yl-3H-carbazol-3-ide;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 139253848

Frequently Asked Questions

What is the IUPAC name of iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)?
The IUPAC name of iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine) (CID 59500188) is iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine).
What is the SMILES notation for iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)?
The canonical SMILES for iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine) is Cc1ccnc(-c2[c-]cc3c4ccccc4n(CC(C)C)c3c2)c1.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)?
The InChIKey is PQYYOWXISBVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2.2C11H8N.Ir/c1-15(2)14-24-21-7-5-4-6-18(21)19-9-8-17(13-22(19)24)20-12-16(3)10-11-23-20;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-7,9-13,15H,14H2,1-3H3;2*1-6,8-9H;/q3*-1;+3.
What are the key properties of iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)?
iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine) has a molecular weight of 814.03 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine) is sourced from PubChem (CID 59500188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).