[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C41H45GeIrN5O-2 — CID 156672240

IUPAC[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILESCCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc2c(nc1C)oc1c(-c3nc4ccncc4n3C)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C21H17N4O.C20H28GeN.Ir/c1-11-5-6-14(20-24-16-7-8-22-10-17(16)25(20)4)19-18(11)15-9-12(2)13(3)23-21(15)26-19;1-7-20(2,3)14-17-13-19(16-11-9-8-10-12-16)22-15-18(17)21(4,5)6;/h5,7-10H,1-4H3;8-11,13,15H,7,14H2,1-6H3;/q2*-1;
InChIKeyOODVACYRZFKBBP-UHFFFAOYSA-N
MW888.67 g/mol
LogP9.73
Rot. Bonds6

About [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156672240) has the molecular formula C41H45GeIrN5O-2 and a molecular weight of 888.67 g/mol. Its IUPAC name is [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

Compound Name[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
PubChem CID156672240
Molecular FormulaC41H45GeIrN5O-2
Molecular Weight888.67 g/mol
Exact Mass890.25
IUPAC Name[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILESCCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc2c(nc1C)oc1c(-c3nc4ccncc4n3C)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C21H17N4O.C20H28GeN.Ir/c1-11-5-6-14(20-24-16-7-8-22-10-17(16)25(20)4)19-18(11)15-9-12(2)13(3)23-21(15)26-19;1-7-20(2,3)14-17-13-19(16-11-9-8-10-12-16)22-15-18(17)21(4,5)6;/h5,7-10H,1-4H3;8-11,13,15H,7,14H2,1-6H3;/q2*-1;
InChIKeyOODVACYRZFKBBP-UHFFFAOYSA-N
XLogP9.73
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.67
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156670290
2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670219
8-(1-ethylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671765
iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657863
2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668507
2-tert-butyl-5-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670478
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156669477
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670567
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 166499117
[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 166498813
8-[1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]benzimidazol-2-yl]-3,5-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;5-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,3,5-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 158052637
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156668951

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The IUPAC name of [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156672240) is [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.
What is the SMILES notation for [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The canonical SMILES for [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc2c(nc1C)oc1c(-c3nc4ccncc4n3C)[c-]cc(C)c12.[Ir].
What is the InChIKey of [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The InChIKey is OODVACYRZFKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N4O.C20H28GeN.Ir/c1-11-5-6-14(20-24-16-7-8-22-10-17(16)25(20)4)19-18(11)15-9-12(2)13(3)23-21(15)26-19;1-7-20(2,3)14-17-13-19(16-11-9-8-10-12-16)22-15-18(17)21(4,5)6;/h5,7-10H,1-4H3;8-11,13,15H,7,14H2,1-6H3;/q2*-1;.
What are the key properties of [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
[4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 888.67 g/mol, XLogP of 9.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2,3,5-trimethyl-8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156672240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).