6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene

C30H20IrN2-2 — CID 59621429

IUPAC6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
SMILES[Ir].[c-]1cccc2c1-c1ncccc1CC2.[c-]1ccccc1-c1cc2c3c(cccc3n1)C=C2
InChIInChI=1S/C17H10N.C13H10N.Ir/c1-2-5-12(6-3-1)16-11-14-10-9-13-7-4-8-15(18-16)17(13)14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h1-5,7-11H;1-5,9H,7-8H2;/q2*-1;
InChIKeyNBIVJCAEEMRWGQ-UHFFFAOYSA-N
MW600.72 g/mol
LogP6.83
Rot. Bonds1

About 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene

6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene (PubChem CID 59621429) has the molecular formula C30H20IrN2-2 and a molecular weight of 600.72 g/mol. Its IUPAC name is 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
PubChem CID59621429
Molecular FormulaC30H20IrN2-2
Molecular Weight600.72 g/mol
Exact Mass601.13
IUPAC Name6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
SMILES[Ir].[c-]1cccc2c1-c1ncccc1CC2.[c-]1ccccc1-c1cc2c3c(cccc3n1)C=C2
InChIInChI=1S/C17H10N.C13H10N.Ir/c1-2-5-12(6-3-1)16-11-14-10-9-13-7-4-8-15(18-16)17(13)14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h1-5,7-11H;1-5,9H,7-8H2;/q2*-1;
InChIKeyNBIVJCAEEMRWGQ-UHFFFAOYSA-N
XLogP6.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene with MolForge

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Related Compounds

6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;platinum
CID 59621960
iridium;5-methyl-1,10-phenanthroline;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621550
iridium;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59622146
6-[3-(3,5-diphenylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;iridium
CID 59621695
iridium;6-[3-(2-methylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621999
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
iridium;6-[3-(trifluoromethyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621575
iridium;6-(3-phenylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;pyridine-2-carboxylic acid
CID 59621725
iridium;6-[3-(3-methylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621870
6-(3-cyclohexylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;iridium
CID 59621526
iridium;6-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621941
iridium;6-(3H-naphthalen-3-id-2-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;pyridine-2-sulfonic acid
CID 59621765

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene (CID 59621429) is 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene is [Ir].[c-]1cccc2c1-c1ncccc1CC2.[c-]1ccccc1-c1cc2c3c(cccc3n1)C=C2.
What is the InChIKey of 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is NBIVJCAEEMRWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N.C13H10N.Ir/c1-2-5-12(6-3-1)16-11-14-10-9-13-7-4-8-15(18-16)17(13)14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h1-5,7-11H;1-5,9H,7-8H2;/q2*-1;.
What are the key properties of 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 600.72 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydro-5H-benzo[h]quinolin-10-ide;iridium;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 59621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).