6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

C39H22IrN3O- — CID 59358357

IUPAC6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILES[Ir].[c-]1cccc2c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc3c3ccnn3c12
InChIInChI=1S/C39H22N3O.Ir/c1-4-10-34-27(7-1)28-8-2-5-11-35(28)41(34)26-15-18-39-33(23-26)32-22-25(14-17-38(32)43-39)24-13-16-30-31(21-24)29-9-3-6-12-36(29)42-37(30)19-20-40-42;/h1-11,13-23H;/q-1;
InChIKeySVXAMWIZBKKMNJ-UHFFFAOYSA-N
MW740.84 g/mol
LogP10.10
Rot. Bonds2

About 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (PubChem CID 59358357) has the molecular formula C39H22IrN3O- and a molecular weight of 740.84 g/mol. Its IUPAC name is 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.

Molecular Properties

Compound Name6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
PubChem CID59358357
Molecular FormulaC39H22IrN3O-
Molecular Weight740.84 g/mol
Exact Mass741.14
IUPAC Name6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILES[Ir].[c-]1cccc2c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc3c3ccnn3c12
InChIInChI=1S/C39H22N3O.Ir/c1-4-10-34-27(7-1)28-8-2-5-11-35(28)41(34)26-15-18-39-33(23-26)32-22-25(14-17-38(32)43-39)24-13-16-30-31(21-24)29-9-3-6-12-36(29)42-37(30)19-20-40-42;/h1-11,13-23H;/q-1;
InChIKeySVXAMWIZBKKMNJ-UHFFFAOYSA-N
XLogP10.10
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.84
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The IUPAC name of 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (CID 59358357) is 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.
What is the SMILES notation for 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The canonical SMILES for 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is [Ir].[c-]1cccc2c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc3c3ccnn3c12.
What is the InChIKey of 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The InChIKey is SVXAMWIZBKKMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N3O.Ir/c1-4-10-34-27(7-1)28-8-2-5-11-35(28)41(34)26-15-18-39-33(23-26)32-22-25(14-17-38(32)43-39)24-13-16-30-31(21-24)29-9-3-6-12-36(29)42-37(30)19-20-40-42;/h1-11,13-23H;/q-1;.
What are the key properties of 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium has a molecular weight of 740.84 g/mol, XLogP of 10.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is sourced from PubChem (CID 59358357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).