iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine

About iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine

iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine (PubChem CID 176779523) has the molecular formula C41H31IrN3O-2 and a molecular weight of 773.94 g/mol. Its IUPAC name is iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine.

Molecular Properties

Compound Name	iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine
PubChem CID	176779523
Molecular Formula	C41H31IrN3O-2
Molecular Weight	773.94 g/mol
Exact Mass	774.21
IUPAC Name	iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine
SMILES	Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2cc(-c3cc(-c4[c-]ccc5c4oc4nc(C)ccc45)ncc3C)ccc2c1.[Ir]
InChI	InChI=1S/C29H21N2O.C12H10N.Ir/c1-17-7-9-21-14-22(11-10-20(21)13-17)26-15-27(30-16-18(26)2)25-6-4-5-23-24-12-8-19(3)31-29(24)32-28(23)25;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h4-5,7-16H,1-3H3;2-5,7-9H,1H3;/q2*-1;
InChIKey	TYAADIYRIDAXIC-UHFFFAOYSA-N
XLogP	10.44
TPSA	51.81 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.94
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

The IUPAC name of iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine (CID 176779523) is iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine.

What is the SMILES notation for iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

The canonical SMILES for iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine is Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2cc(-c3cc(-c4[c-]ccc5c4oc4nc(C)ccc45)ncc3C)ccc2c1.[Ir].

What is the InChIKey of iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

The InChIKey is TYAADIYRIDAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N2O.C12H10N.Ir/c1-17-7-9-21-14-22(11-10-20(21)13-17)26-15-27(30-16-18(26)2)25-6-4-5-23-24-12-8-19(3)31-29(24)32-28(23)25;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h4-5,7-16H,1-3H3;2-5,7-9H,1H3;/q2*-1;.

What are the key properties of iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine has a molecular weight of 773.94 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine is sourced from PubChem (CID 176779523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).