8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane

About 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane

8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156670142) has the molecular formula C38H38GeIrN4O-2 and a molecular weight of 831.58 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name	8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
PubChem CID	156670142
Molecular Formula	C38H38GeIrN4O-2
Molecular Weight	831.58 g/mol
Exact Mass	833.19
IUPAC Name	8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
SMILES	CCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4[nH]3)[c-]ccc12.[Ir]
InChI	InChI=1S/C19H26GeN.C19H12N3O.Ir/c1-6-15(2)12-17-13-19(16-10-8-7-9-11-16)21-14-18(17)20(3,4)5;1-11-9-10-13-12-5-4-6-14(17(12)23-19(13)20-11)18-21-15-7-2-3-8-16(15)22-18;/h7-10,13-15H,6,12H2,1-5H3;2-5,7-10H,1H3,(H,21,22);/q2*-1;
InChIKey	UXXUTWQPKQVYSA-UHFFFAOYSA-N
XLogP	9.31
TPSA	67.60 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.58
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
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 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane (CID 156670142) is 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane is CCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4[nH]3)[c-]ccc12.[Ir].

What is the InChIKey of 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is UXXUTWQPKQVYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26GeN.C19H12N3O.Ir/c1-6-15(2)12-17-13-19(16-10-8-7-9-11-16)21-14-18(17)20(3,4)5;1-11-9-10-13-12-5-4-6-14(17(12)23-19(13)20-11)18-21-15-7-2-3-8-16(15)22-18;/h7-10,13-15H,6,12H2,1-5H3;2-5,7-10H,1H3,(H,21,22);/q2*-1;.

What are the key properties of 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 831.58 g/mol, XLogP of 9.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1H-benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156670142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).