5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium

C13H11IrN2- — CID 59459735

IUPAC5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium
SMILESCCn1c2ccc[c-]c2c2ncccc21.[Ir]
InChIInChI=1S/C13H11N2.Ir/c1-2-15-11-7-4-3-6-10(11)13-12(15)8-5-9-14-13;/h3-5,7-9H,2H2,1H3;/q-1;
InChIKeyAPYGELSIOFJVHI-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.01
Rot. Bonds1

About 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium

5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium (PubChem CID 59459735) has the molecular formula C13H11IrN2- and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium.

Molecular Properties

Compound Name5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium
PubChem CID59459735
Molecular FormulaC13H11IrN2-
Molecular Weight387.46 g/mol
Exact Mass388.06
IUPAC Name5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium
SMILESCCn1c2ccc[c-]c2c2ncccc21.[Ir]
InChIInChI=1S/C13H11N2.Ir/c1-2-15-11-7-4-3-6-10(11)13-12(15)8-5-9-14-13;/h3-5,7-9H,2H2,1H3;/q-1;
InChIKeyAPYGELSIOFJVHI-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-9-methylpyrido[3,2-b]indole
CID 171509495
5-ethyl-8-methylpyrido[3,2-b]indole
CID 171509637
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
CID 164805533
CID 164805533
5-ethylpyrazino[2,3-b]indole
CID 129265266
[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine
CID 171509587
ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)
CID 159763189
ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium
CID 159471446
bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride
CID 53470521
iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one
CID 150022556

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium?
The IUPAC name of 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium (CID 59459735) is 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium.
What is the SMILES notation for 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium?
The canonical SMILES for 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium is CCn1c2ccc[c-]c2c2ncccc21.[Ir].
What is the InChIKey of 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium?
The InChIKey is APYGELSIOFJVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2.Ir/c1-2-15-11-7-4-3-6-10(11)13-12(15)8-5-9-14-13;/h3-5,7-9H,2H2,1H3;/q-1;.
What are the key properties of 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium?
5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium has a molecular weight of 387.46 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9H-pyrido[3,2-b]indol-9-ide;iridium is sourced from PubChem (CID 59459735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).