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

C52H35IrN3-2 — CID 153423282

IUPACiridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
SMILES[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C41H27N2.C11H8N.Ir/c1-2-17-36(18-3-1)43-40-21-5-4-19-37(40)38-28-34(22-23-41(38)43)32-14-9-12-30(26-32)29-11-8-13-31(25-29)33-15-10-16-35(27-33)39-20-6-7-24-42-39;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-15,17-28H;1-6,8-9H;/q2*-1;
InChIKeyHLUSSJWVGQIWFI-UHFFFAOYSA-N
MW894.09 g/mol
LogP13.19
Rot. Bonds6

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

iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole (PubChem CID 153423282) has the molecular formula C52H35IrN3-2 and a molecular weight of 894.09 g/mol. Its IUPAC name is iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
PubChem CID153423282
Molecular FormulaC52H35IrN3-2
Molecular Weight894.09 g/mol
Exact Mass894.25
IUPAC Nameiridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
SMILES[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C41H27N2.C11H8N.Ir/c1-2-17-36(18-3-1)43-40-21-5-4-19-37(40)38-28-34(22-23-41(38)43)32-14-9-12-30(26-32)29-11-8-13-31(25-29)33-15-10-16-35(27-33)39-20-6-7-24-42-39;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-15,17-28H;1-6,8-9H;/q2*-1;
InChIKeyHLUSSJWVGQIWFI-UHFFFAOYSA-N
XLogP13.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.09
LogP ≤ 513.19
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
dimethyl(phosphanyl)phosphane;iridium;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;4-phenyl-2-phenylpyridine;2-phenylpyridine
CID 158033018
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
iridium(3+);9-phenyl-5-(2-phenyl-4-pyridinyl)-3-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;9-pyridin-2-yl-1H-carbazol-1-ide
CID 171438511
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;iridium(3+);4-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 159269416
iridium;9-[4-[7'-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793028
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole?
The IUPAC name of iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole (CID 153423282) is iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole?
The canonical SMILES for iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole is [Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole?
The InChIKey is HLUSSJWVGQIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N2.C11H8N.Ir/c1-2-17-36(18-3-1)43-40-21-5-4-19-37(40)38-28-34(22-23-41(38)43)32-14-9-12-30(26-32)29-11-8-13-31(25-29)33-15-10-16-35(27-33)39-20-6-7-24-42-39;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-15,17-28H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole?
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole has a molecular weight of 894.09 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 153423282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).