(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide

C46H39GeIrN5O-2 — CID 156671275

IUPAC(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.Cc1cc2nc(-c3[c-]ccc4c3oc3cc(C)ncc34)n(-c3ccccc3)c2cn1.[Ir]
InChIInChI=1S/C25H17N4O.C21H22GeN.Ir/c1-15-11-21-22(14-27-15)29(17-7-4-3-5-8-17)25(28-21)19-10-6-9-18-20-13-26-16(2)12-23(20)30-24(18)19;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;/h3-9,11-14H,1-2H3;4-12,15-16H,14H2,1-3H3;/q2*-1;
InChIKeyLBQCMKSAQYWSTJ-UHFFFAOYSA-N
MW942.68 g/mol
LogP10.48
Rot. Bonds6

About (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide

(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide (PubChem CID 156671275) has the molecular formula C46H39GeIrN5O-2 and a molecular weight of 942.68 g/mol. Its IUPAC name is (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide.

Molecular Properties

Compound Name(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide
PubChem CID156671275
Molecular FormulaC46H39GeIrN5O-2
Molecular Weight942.68 g/mol
Exact Mass944.20
IUPAC Name(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.Cc1cc2nc(-c3[c-]ccc4c3oc3cc(C)ncc34)n(-c3ccccc3)c2cn1.[Ir]
InChIInChI=1S/C25H17N4O.C21H22GeN.Ir/c1-15-11-21-22(14-27-15)29(17-7-4-3-5-8-17)25(28-21)19-10-6-9-18-20-13-26-16(2)12-23(20)30-24(18)19;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;/h3-9,11-14H,1-2H3;4-12,15-16H,14H2,1-3H3;/q2*-1;
InChIKeyLBQCMKSAQYWSTJ-UHFFFAOYSA-N
XLogP10.48
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.68
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
CID 164824410
2-(3H-dibenzofuran-3-id-4-yl)-6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 164825067
iridium;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660197
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 162776775
iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164826382
iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
CID 164826646
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164827018
(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
iridium;3-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 166499378
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660779
8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156671064
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164826366

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide?
The IUPAC name of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide (CID 156671275) is (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide.
What is the SMILES notation for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide?
The canonical SMILES for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.Cc1cc2nc(-c3[c-]ccc4c3oc3cc(C)ncc34)n(-c3ccccc3)c2cn1.[Ir].
What is the InChIKey of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide?
The InChIKey is LBQCMKSAQYWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N4O.C21H22GeN.Ir/c1-15-11-21-22(14-27-15)29(17-7-4-3-5-8-17)25(28-21)19-10-6-9-18-20-13-26-16(2)12-23(20)30-24(18)19;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;/h3-9,11-14H,1-2H3;4-12,15-16H,14H2,1-3H3;/q2*-1;.
What are the key properties of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide?
(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide has a molecular weight of 942.68 g/mol, XLogP of 10.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide is sourced from PubChem (CID 156671275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).