iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline

C19H22IrN- — CID 140790056

IUPACiridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
SMILESCC1(C)CCC(C)(C)c2cc(-c3[c-]cccc3)ncc21.[Ir]
InChIInChI=1S/C19H22N.Ir/c1-18(2)10-11-19(3,4)16-13-20-17(12-15(16)18)14-8-6-5-7-9-14;/h5-8,12-13H,10-11H2,1-4H3;/q-1;
InChIKeyWHKCTKPNXYCDHT-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.90
Rot. Bonds1

About iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline

iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline (PubChem CID 140790056) has the molecular formula C19H22IrN- and a molecular weight of 456.61 g/mol. Its IUPAC name is iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Nameiridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
PubChem CID140790056
Molecular FormulaC19H22IrN-
Molecular Weight456.61 g/mol
Exact Mass457.14
IUPAC Nameiridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
SMILESCC1(C)CCC(C)(C)c2cc(-c3[c-]cccc3)ncc21.[Ir]
InChIInChI=1S/C19H22N.Ir/c1-18(2)10-11-19(3,4)16-13-20-17(12-15(16)18)14-8-6-5-7-9-14;/h5-8,12-13H,10-11H2,1-4H3;/q-1;
InChIKeyWHKCTKPNXYCDHT-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.90
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

iridium;2-phenylpyridine;5,5,7,7-tetramethyl-3-phenyl-6H-cyclopenta[c]pyridine
CID 140677107
2-(5,5,7,7,9,9-hexamethyl-6,8-dihydro-2H-benzo[7]annulen-2-id-3-yl)pyridine;5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine;iridium
CID 140789866
3-(3H-dibenzofuran-3-id-4-yl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176822649
2-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyrazine;iridium;2-phenylpyridine
CID 140789863
5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
CID 140789925
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)benzene-4-id-1-yl]fluoren-2-amine;iridium
CID 140790062
5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
CID 129074693
10,10-dimethyl-5-phenyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;iridium
CID 21044157
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
iridium;3-methyl-2-phenylpyridine;3-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 140789886
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine
CID 166018702

Frequently Asked Questions

What is the IUPAC name of iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline?
The IUPAC name of iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline (CID 140790056) is iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline.
What is the SMILES notation for iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline?
The canonical SMILES for iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline is CC1(C)CCC(C)(C)c2cc(-c3[c-]cccc3)ncc21.[Ir].
What is the InChIKey of iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline?
The InChIKey is WHKCTKPNXYCDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N.Ir/c1-18(2)10-11-19(3,4)16-13-20-17(12-15(16)18)14-8-6-5-7-9-14;/h5-8,12-13H,10-11H2,1-4H3;/q-1;.
What are the key properties of iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline?
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline has a molecular weight of 456.61 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 140790056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).