bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline

C40H26IrN3 — CID 58084663

IUPACbis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline
SMILES[CH2-]c1cccc2ccc3cccnc3c12.[Ir+3].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C14H10N.2C13H8N.Ir/c1-10-4-2-5-11-7-8-12-6-3-9-15-14(12)13(10)11;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h2-9H,1H2;2*1-5,7-9H;/q3*-1;+3
InChIKeyBSQANYZGNNKKNJ-UHFFFAOYSA-N
MW740.89 g/mol
LogP9.94
Rot. Bonds

About bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline

bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline (PubChem CID 58084663) has the molecular formula C40H26IrN3 and a molecular weight of 740.89 g/mol. Its IUPAC name is bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline.

Molecular Properties

Compound Namebis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline
PubChem CID58084663
Molecular FormulaC40H26IrN3
Molecular Weight740.89 g/mol
Exact Mass741.18
IUPAC Namebis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline
SMILES[CH2-]c1cccc2ccc3cccnc3c12.[Ir+3].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C14H10N.2C13H8N.Ir/c1-10-4-2-5-11-7-8-12-6-3-9-15-14(12)13(10)11;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h2-9H,1H2;2*1-5,7-9H;/q3*-1;+3
InChIKeyBSQANYZGNNKKNJ-UHFFFAOYSA-N
XLogP9.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.89
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline with MolForge

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Related Compounds

beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
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
10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
CID 135973441
iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
10H-benzo[h]quinolin-10-ide;chlorogold;(2-diphenylphosphaniumylphenyl)-diphenylphosphanium
CID 170514866
disilver;bis(10H-benzo[h]quinolin-10-ide);bis(N,N-dimethylcarbamodithioate);bis(platinum(2+));propan-2-one;diperchlorate
CID 139156306
silver;10H-benzo[h]quinolin-10-ide;2-fluorobenzoic acid
CID 155643179
iridium(3+);1,10-phenanthroline
CID 175702049
benzo[h]quinolin-10-olate
CID 101433150
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
10H-benzo[h]quinolin-10-ide;4-phenylimidazo[1,2-a]benzimidazole;platinum(2+)
CID 153419309

Frequently Asked Questions

What is the IUPAC name of bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline?
The IUPAC name of bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline (CID 58084663) is bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline.
What is the SMILES notation for bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline?
The canonical SMILES for bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline is [CH2-]c1cccc2ccc3cccnc3c12.[Ir+3].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline?
The InChIKey is BSQANYZGNNKKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N.2C13H8N.Ir/c1-10-4-2-5-11-7-8-12-6-3-9-15-14(12)13(10)11;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h2-9H,1H2;2*1-5,7-9H;/q3*-1;+3.
What are the key properties of bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline?
bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline has a molecular weight of 740.89 g/mol, XLogP of 9.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline is sourced from PubChem (CID 58084663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).