1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium

C16H6F6IrN- — CID 140820029

IUPAC1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium
SMILESFC1(F)c2c[c-]c3c(ccc4cccnc43)c2C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C16H6F6N.Ir/c17-14(18)11-6-5-10-9(12(11)15(19,20)16(14,21)22)4-3-8-2-1-7-23-13(8)10;/h1-4,6-7H;/q-1;
InChIKeyQHLDMXNBKAAOBO-UHFFFAOYSA-N
MW518.44 g/mol
LogP5.02
Rot. Bonds

About 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium

1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium (PubChem CID 140820029) has the molecular formula C16H6F6IrN- and a molecular weight of 518.44 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium
PubChem CID140820029
Molecular FormulaC16H6F6IrN-
Molecular Weight518.44 g/mol
Exact Mass519.00
IUPAC Name1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium
SMILESFC1(F)c2c[c-]c3c(ccc4cccnc43)c2C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C16H6F6N.Ir/c17-14(18)11-6-5-10-9(12(11)15(19,20)16(14,21)22)4-3-8-2-1-7-23-13(8)10;/h1-4,6-7H;/q-1;
InChIKeyQHLDMXNBKAAOBO-UHFFFAOYSA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium (CID 140820029) is 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium is FC1(F)c2c[c-]c3c(ccc4cccnc43)c2C(F)(F)C1(F)F.[Ir].
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium?
The InChIKey is QHLDMXNBKAAOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F6N.Ir/c17-14(18)11-6-5-10-9(12(11)15(19,20)16(14,21)22)4-3-8-2-1-7-23-13(8)10;/h1-4,6-7H;/q-1;.
What are the key properties of 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium?
1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium has a molecular weight of 518.44 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium is sourced from PubChem (CID 140820029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).