10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide

C81H52Ir6N10O-6 — CID 157257528

IUPAC10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide
SMILES[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2cccnc2n1-c1ccccc1.[c-]1ccnc2ccc3cccnc3c12.[c-]1cnccc1-c1ccccn1
InChIInChI=1S/C18H12N3.C15H10N.C13H8NO.C13H8N.C12H7N2.C10H7N2.6Ir/c1-3-8-14(9-4-1)17-20-16-12-7-13-19-18(16)21(17)15-10-5-2-6-11-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-6-12-10(3-1)9-4-7-11-8-5-9;;;;;;/h1-8,10-13H;1-6,8-11H;1-6,8-9H;1-5,7-9H;1-3,5-8H;1-4,6-8H;;;;;;/q6*-1;;;;;;
InChIKeyMMDIYOKKSWYRIA-UHFFFAOYSA-N
MW2334.68 g/mol
LogP18.58
Rot. Bonds5

About 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide

10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide (PubChem CID 157257528) has the molecular formula C81H52Ir6N10O-6 and a molecular weight of 2334.68 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide
PubChem CID157257528
Molecular FormulaC81H52Ir6N10O-6
Molecular Weight2334.68 g/mol
Exact Mass2338.21
IUPAC Name10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide
SMILES[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2cccnc2n1-c1ccccc1.[c-]1ccnc2ccc3cccnc3c12.[c-]1cnccc1-c1ccccn1
InChIInChI=1S/C18H12N3.C15H10N.C13H8NO.C13H8N.C12H7N2.C10H7N2.6Ir/c1-3-8-14(9-4-1)17-20-16-12-7-13-19-18(16)21(17)15-10-5-2-6-11-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-6-12-10(3-1)9-4-7-11-8-5-9;;;;;;/h1-8,10-13H;1-6,8-11H;1-6,8-9H;1-5,7-9H;1-3,5-8H;1-4,6-8H;;;;;;/q6*-1;;;;;;
InChIKeyMMDIYOKKSWYRIA-UHFFFAOYSA-N
XLogP18.58
TPSA134.08 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.68
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide (CID 157257528) is 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide is [Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2cccnc2n1-c1ccccc1.[c-]1ccnc2ccc3cccnc3c12.[c-]1cnccc1-c1ccccn1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide?
The InChIKey is MMDIYOKKSWYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N3.C15H10N.C13H8NO.C13H8N.C12H7N2.C10H7N2.6Ir/c1-3-8-14(9-4-1)17-20-16-12-7-13-19-18(16)21(17)15-10-5-2-6-11-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-6-12-10(3-1)9-4-7-11-8-5-9;;;;;;/h1-8,10-13H;1-6,8-11H;1-6,8-9H;1-5,7-9H;1-3,5-8H;1-4,6-8H;;;;;;/q6*-1;;;;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide?
10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide has a molecular weight of 2334.68 g/mol, XLogP of 18.58, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;hexakis(iridium);10H-1,7-phenanthrolin-10-ide;2-phenyl-1,3-benzoxazole;3-phenylisoquinoline;3-phenyl-2-phenylimidazo[4,5-b]pyridine;4-pyridin-2-yl-3H-pyridin-3-ide is sourced from PubChem (CID 157257528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).