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

C40H27IrN3-2 — CID 153423489

IUPACiridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
SMILES[Ir].[c-]1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H19N2.C11H8N.Ir/c1-3-13-28-25(10-1)26-11-2-4-14-29(26)31(28)24-17-15-21(16-18-24)22-8-7-9-23(20-22)27-12-5-6-19-30-27;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8,10-20H;1-6,8-9H;/q2*-1;
InChIKeyIHCRQYLEXWTTNS-UHFFFAOYSA-N
MW741.89 g/mol
LogP9.86
Rot. Bonds4

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

iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole (PubChem CID 153423489) has the molecular formula C40H27IrN3-2 and a molecular weight of 741.89 g/mol. Its IUPAC name is iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
PubChem CID153423489
Molecular FormulaC40H27IrN3-2
Molecular Weight741.89 g/mol
Exact Mass742.18
IUPAC Nameiridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
SMILES[Ir].[c-]1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H19N2.C11H8N.Ir/c1-3-13-28-25(10-1)26-11-2-4-14-29(26)31(28)24-17-15-21(16-18-24)22-8-7-9-23(20-22)27-12-5-6-19-30-27;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8,10-20H;1-6,8-9H;/q2*-1;
InChIKeyIHCRQYLEXWTTNS-UHFFFAOYSA-N
XLogP9.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 59.86
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

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)
CID 162273497
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
dimethyl(phosphanyl)phosphane;iridium;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;4-phenyl-2-phenylpyridine;2-phenylpyridine
CID 158033018
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-[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
9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
CID 159320007
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;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-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole?
The IUPAC name of iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole (CID 153423489) is iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole.
What is the SMILES notation for iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole?
The canonical SMILES for iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole is [Ir].[c-]1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole?
The InChIKey is IHCRQYLEXWTTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N2.C11H8N.Ir/c1-3-13-28-25(10-1)26-11-2-4-14-29(26)31(28)24-17-15-21(16-18-24)22-8-7-9-23(20-22)27-12-5-6-19-30-27;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8,10-20H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole?
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole has a molecular weight of 741.89 g/mol, XLogP of 9.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole is sourced from PubChem (CID 153423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).