iridium;2-phenyl-3,4-dihydropyridine

C11H10IrN- — CID 58695375

IUPACiridium;2-phenyl-3,4-dihydropyridine
SMILES[Ir].[c-]1ccccc1C1=NC=CCC1
InChIInChI=1S/C11H10N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,5-6,9H,4,8H2;/q-1;
InChIKeyKAJYOSVRTDCIMB-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.58
Rot. Bonds1

About iridium;2-phenyl-3,4-dihydropyridine

iridium;2-phenyl-3,4-dihydropyridine (PubChem CID 58695375) has the molecular formula C11H10IrN- and a molecular weight of 348.43 g/mol. Its IUPAC name is iridium;2-phenyl-3,4-dihydropyridine.

Molecular Properties

Compound Nameiridium;2-phenyl-3,4-dihydropyridine
PubChem CID58695375
Molecular FormulaC11H10IrN-
Molecular Weight348.43 g/mol
Exact Mass349.04
IUPAC Nameiridium;2-phenyl-3,4-dihydropyridine
SMILES[Ir].[c-]1ccccc1C1=NC=CCC1
InChIInChI=1S/C11H10N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,5-6,9H,4,8H2;/q-1;
InChIKeyKAJYOSVRTDCIMB-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1Z)-1-Benzazocine
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5H-Indole
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Pyrrolo[2,3-f]indole
CID 21252022
Indoloindole
CID 21887135
Pyrrolo(2,3-b)carbazole
CID 21888088
Dibenz[b,f]azocine
CID 23633137
Pyrrolo[3,2-g]indole
CID 70280489
10,11-Dihydro-dibenzazepine
CID 126697729
4,6-Dihydroquinoline
CID 129722681
Benzo[c]indole
CID 148242567

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-3,4-dihydropyridine?
The IUPAC name of iridium;2-phenyl-3,4-dihydropyridine (CID 58695375) is iridium;2-phenyl-3,4-dihydropyridine.
What is the SMILES notation for iridium;2-phenyl-3,4-dihydropyridine?
The canonical SMILES for iridium;2-phenyl-3,4-dihydropyridine is [Ir].[c-]1ccccc1C1=NC=CCC1.
What is the InChIKey of iridium;2-phenyl-3,4-dihydropyridine?
The InChIKey is KAJYOSVRTDCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,5-6,9H,4,8H2;/q-1;.
What are the key properties of iridium;2-phenyl-3,4-dihydropyridine?
iridium;2-phenyl-3,4-dihydropyridine has a molecular weight of 348.43 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-3,4-dihydropyridine is sourced from PubChem (CID 58695375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).