5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium

C17H22IrN- — CID 58982954

IUPAC5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium
SMILESCC1(C)CCCN=C1c1[c-]ccc2c1CCCC2.[Ir]
InChIInChI=1S/C17H22N.Ir/c1-17(2)11-6-12-18-16(17)15-10-5-8-13-7-3-4-9-14(13)15;/h5,8H,3-4,6-7,9,11-12H2,1-2H3;/q-1;
InChIKeyLKOMVZXICQXKIG-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.97
Rot. Bonds1

About 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium

5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium (PubChem CID 58982954) has the molecular formula C17H22IrN- and a molecular weight of 432.59 g/mol. Its IUPAC name is 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium.

Molecular Properties

Compound Name5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium
PubChem CID58982954
Molecular FormulaC17H22IrN-
Molecular Weight432.59 g/mol
Exact Mass433.14
IUPAC Name5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium
SMILESCC1(C)CCCN=C1c1[c-]ccc2c1CCCC2.[Ir]
InChIInChI=1S/C17H22N.Ir/c1-17(2)11-6-12-18-16(17)15-10-5-8-13-7-3-4-9-14(13)15;/h5,8H,3-4,6-7,9,11-12H2,1-2H3;/q-1;
InChIKeyLKOMVZXICQXKIG-UHFFFAOYSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium?
The IUPAC name of 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium (CID 58982954) is 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium.
What is the SMILES notation for 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium?
The canonical SMILES for 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium is CC1(C)CCCN=C1c1[c-]ccc2c1CCCC2.[Ir].
What is the InChIKey of 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium?
The InChIKey is LKOMVZXICQXKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N.Ir/c1-17(2)11-6-12-18-16(17)15-10-5-8-13-7-3-4-9-14(13)15;/h5,8H,3-4,6-7,9,11-12H2,1-2H3;/q-1;.
What are the key properties of 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium?
5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium has a molecular weight of 432.59 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium is sourced from PubChem (CID 58982954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).