iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C55H35IrN6O — CID 171768042

IUPACiridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILES[Ir+3].[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ncccc1-c1cc(-n2c3ccccc3c3ccccc32)ccn1
InChIInChI=1S/C22H14N3.C17H12N.C16H9N2O.Ir/c1-3-9-21-18(7-1)19-8-2-4-10-22(19)25(21)17-11-13-24-20(14-17)16-6-5-12-23-15-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;/h1-14H;1-9,11-13H;1-5,7-10H;/q3*-1;+3
InChIKeyNCLAFTWNILRKKZ-UHFFFAOYSA-N
MW988.14 g/mol
LogP13.10
Rot. Bonds5

About iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 171768042) has the molecular formula C55H35IrN6O and a molecular weight of 988.14 g/mol. Its IUPAC name is iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

Compound Nameiridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
PubChem CID171768042
Molecular FormulaC55H35IrN6O
Molecular Weight988.14 g/mol
Exact Mass988.25
IUPAC Nameiridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILES[Ir+3].[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ncccc1-c1cc(-n2c3ccccc3c3ccccc32)ccn1
InChIInChI=1S/C22H14N3.C17H12N.C16H9N2O.Ir/c1-3-9-21-18(7-1)19-8-2-4-10-22(19)25(21)17-11-13-24-20(14-17)16-6-5-12-23-15-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;/h1-14H;1-9,11-13H;1-5,7-10H;/q3*-1;+3
InChIKeyNCLAFTWNILRKKZ-UHFFFAOYSA-N
XLogP13.10
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.14
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide with MolForge

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Related Compounds

iridium(3+);8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-[2-(4H-pyrimidin-4-id-5-yl)-4-pyridinyl]carbazole)
CID 171768048
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
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
CID 166044021
CID 166044021
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 162776734
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686685
iridium;2-methyl-8-(4-quinolin-6-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 176779388

Frequently Asked Questions

What is the IUPAC name of iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The IUPAC name of iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 171768042) is iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.
What is the SMILES notation for iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The canonical SMILES for iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is [Ir+3].[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ncccc1-c1cc(-n2c3ccccc3c3ccccc32)ccn1.
What is the InChIKey of iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The InChIKey is NCLAFTWNILRKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N3.C17H12N.C16H9N2O.Ir/c1-3-9-21-18(7-1)19-8-2-4-10-22(19)25(21)17-11-13-24-20(14-17)16-6-5-12-23-15-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;/h1-14H;1-9,11-13H;1-5,7-10H;/q3*-1;+3.
What are the key properties of iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 988.14 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);4-phenyl-2-phenylpyridine;9-[2-(2H-pyridin-2-id-3-yl)-4-pyridinyl]carbazole;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 171768042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).