iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole

C34H23IrN3-2 — CID 21042137

IUPACiridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
SMILES[Ir].[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H15N2.C11H8N.Ir/c1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-16H;1-6,8-9H;/q2*-1;
InChIKeyFNBJGVMPRISYPW-UHFFFAOYSA-N
MW665.80 g/mol
LogP8.19
Rot. Bonds3

About iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole

iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole (PubChem CID 21042137) has the molecular formula C34H23IrN3-2 and a molecular weight of 665.80 g/mol. Its IUPAC name is iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
PubChem CID21042137
Molecular FormulaC34H23IrN3-2
Molecular Weight665.80 g/mol
Exact Mass666.15
IUPAC Nameiridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
SMILES[Ir].[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H15N2.C11H8N.Ir/c1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-16H;1-6,8-9H;/q2*-1;
InChIKeyFNBJGVMPRISYPW-UHFFFAOYSA-N
XLogP8.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)
CID 162273497
iridium;5-methyl-2-phenylpyridine;14-(3-pyridin-2-ylbenzene-4-id-1-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164802669
iridium;tris(2-phenylpyridine)
CID 23386734
dimethyl(phosphanyl)phosphane;iridium;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;4-phenyl-2-phenylpyridine;2-phenylpyridine
CID 158033018
9-[4-[4-[3,6-bis(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(2,2-dimethylpropyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;bis(iridium(3+));methane;hexakis(2-phenylpyridine)
CID 162159905
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
CID 177271340
CID 177271340
iridium(3+);9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500152

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole?
The IUPAC name of iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole (CID 21042137) is iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole.
What is the SMILES notation for iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole?
The canonical SMILES for iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole is [Ir].[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole?
The InChIKey is FNBJGVMPRISYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N2.C11H8N.Ir/c1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-16H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole?
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole has a molecular weight of 665.80 g/mol, XLogP of 8.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole is sourced from PubChem (CID 21042137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).