iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide

C18H17IrN2- — CID 140820118

IUPACiridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide
SMILESCN1CC(C)(C)c2c1c[c-]c1c2ccc2cccnc21.[Ir]
InChIInChI=1S/C18H17N2.Ir/c1-18(2)11-20(3)15-9-8-14-13(16(15)18)7-6-12-5-4-10-19-17(12)14;/h4-7,9-10H,11H2,1-3H3;/q-1;
InChIKeyCAQWMKKTDVOAGF-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.91
Rot. Bonds

About iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide

iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide (PubChem CID 140820118) has the molecular formula C18H17IrN2- and a molecular weight of 453.57 g/mol. Its IUPAC name is iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide.

Molecular Properties

Compound Nameiridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide
PubChem CID140820118
Molecular FormulaC18H17IrN2-
Molecular Weight453.57 g/mol
Exact Mass454.10
IUPAC Nameiridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide
SMILESCN1CC(C)(C)c2c1c[c-]c1c2ccc2cccnc21.[Ir]
InChIInChI=1S/C18H17N2.Ir/c1-18(2)11-20(3)15-9-8-14-13(16(15)18)7-6-12-5-4-10-19-17(12)14;/h4-7,9-10H,11H2,1-3H3;/q-1;
InChIKeyCAQWMKKTDVOAGF-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide?
The IUPAC name of iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide (CID 140820118) is iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide.
What is the SMILES notation for iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide?
The canonical SMILES for iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide is CN1CC(C)(C)c2c1c[c-]c1c2ccc2cccnc21.[Ir].
What is the InChIKey of iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide?
The InChIKey is CAQWMKKTDVOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.Ir/c1-18(2)11-20(3)15-9-8-14-13(16(15)18)7-6-12-5-4-10-19-17(12)14;/h4-7,9-10H,11H2,1-3H3;/q-1;.
What are the key properties of iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide?
iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide has a molecular weight of 453.57 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide is sourced from PubChem (CID 140820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).