10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C27H16IrN3- — CID 59358534

IUPAC10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILES[Ir].[c-]1cc(-n2c3ccccc3c3ccccc32)cc2c1c1nccn1c1ccccc21
InChIInChI=1S/C27H16N3.Ir/c1-4-10-24-21(9-1)23-17-18(13-14-22(23)27-28-15-16-29(24)27)30-25-11-5-2-7-19(25)20-8-3-6-12-26(20)30;/h1-13,15-17H;/q-1;
InChIKeyDKBDQOJNSMJYBX-UHFFFAOYSA-N
MW574.66 g/mol
LogP6.54
Rot. Bonds1

About 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59358534) has the molecular formula C27H16IrN3- and a molecular weight of 574.66 g/mol. Its IUPAC name is 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59358534
Molecular FormulaC27H16IrN3-
Molecular Weight574.66 g/mol
Exact Mass575.10
IUPAC Name10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILES[Ir].[c-]1cc(-n2c3ccccc3c3ccccc32)cc2c1c1nccn1c1ccccc21
InChIInChI=1S/C27H16N3.Ir/c1-4-10-24-21(9-1)23-17-18(13-14-22(23)27-28-15-16-29(24)27)30-25-11-5-2-7-19(25)20-8-3-6-12-26(20)30;/h1-13,15-17H;/q-1;
InChIKeyDKBDQOJNSMJYBX-UHFFFAOYSA-N
XLogP6.54
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59358534) is 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is [Ir].[c-]1cc(-n2c3ccccc3c3ccccc32)cc2c1c1nccn1c1ccccc21.
What is the InChIKey of 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is DKBDQOJNSMJYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N3.Ir/c1-4-10-24-21(9-1)23-17-18(13-14-22(23)27-28-15-16-29(24)27)30-25-11-5-2-7-19(25)20-8-3-6-12-26(20)30;/h1-13,15-17H;/q-1;.
What are the key properties of 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 574.66 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59358534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).