(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

About (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 162709502) has the molecular formula C43H43GeIrN3O-2 and a molecular weight of 882.66 g/mol. Its IUPAC name is (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

Compound Name	(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
PubChem CID	162709502
Molecular Formula	C43H43GeIrN3O-2
Molecular Weight	882.66 g/mol
Exact Mass	884.23
IUPAC Name	(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
SMILES	C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.Cc1ccc2c(n1)oc1c(-c3cc(CC(C)(C)C)ccn3)[c-]ccc12.[Ir]
InChI	InChI=1S/C22H21N2O.C21H22GeN.Ir/c1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;/h5-6,8-12H,13H2,1-4H3;4-12,15-16H,14H2,1-3H3;/q2*-1;
InChIKey	IARBLNXIWHRYDD-UHFFFAOYSA-N
XLogP	10.42
TPSA	51.81 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	49
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.66
LogP ≤ 5	10.42
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 (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 162709502) is (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.Cc1ccc2c(n1)oc1c(-c3cc(CC(C)(C)C)ccn3)[c-]ccc12.[Ir].

What is the InChIKey of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is IARBLNXIWHRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2O.C21H22GeN.Ir/c1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;/h5-6,8-12H,13H2,1-4H3;4-12,15-16H,14H2,1-3H3;/q2*-1;.

What are the key properties of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 882.66 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 162709502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).