8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

C48H43GeIrN5O-2 — CID 166498925

IUPAC8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.Cc1nccc2c1oc1c(-c3nc4cc(C(C)C)ncc4n3Cc3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C28H23N4O.C20H20GeN.Ir/c1-17(2)23-14-24-25(15-30-23)32(16-19-8-5-4-6-9-19)28(31-24)22-11-7-10-20-21-12-13-29-18(3)26(21)33-27(20)22;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h4-10,12-15,17H,16H2,1-3H3;4-12,14-15H,1-3H3;/q2*-1;
InChIKeyIEIAOBXGHIQBFP-UHFFFAOYSA-N
MW970.73 g/mol
LogP11.43
Rot. Bonds7

About 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166498925) has the molecular formula C48H43GeIrN5O-2 and a molecular weight of 970.73 g/mol. Its IUPAC name is 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
PubChem CID166498925
Molecular FormulaC48H43GeIrN5O-2
Molecular Weight970.73 g/mol
Exact Mass972.23
IUPAC Name8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.Cc1nccc2c1oc1c(-c3nc4cc(C(C)C)ncc4n3Cc3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C28H23N4O.C20H20GeN.Ir/c1-17(2)23-14-24-25(15-30-23)32(16-19-8-5-4-6-9-19)28(31-24)22-11-7-10-20-21-12-13-29-18(3)26(21)33-27(20)22;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h4-10,12-15,17H,16H2,1-3H3;4-12,14-15H,1-3H3;/q2*-1;
InChIKeyIEIAOBXGHIQBFP-UHFFFAOYSA-N
XLogP11.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.73
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
The IUPAC name of 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (CID 166498925) is 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.Cc1nccc2c1oc1c(-c3nc4cc(C(C)C)ncc4n3Cc3ccccc3)[c-]ccc12.[Ir].
What is the InChIKey of 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
The InChIKey is IEIAOBXGHIQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N4O.C20H20GeN.Ir/c1-17(2)23-14-24-25(15-30-23)32(16-19-8-5-4-6-9-19)28(31-24)22-11-7-10-20-21-12-13-29-18(3)26(21)33-27(20)22;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h4-10,12-15,17H,16H2,1-3H3;4-12,14-15H,1-3H3;/q2*-1;.
What are the key properties of 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 970.73 g/mol, XLogP of 11.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166498925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).