2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C57H47GeIrN3O-2 — CID 171435703

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C39H23N2O.C18H24GeN.Ir/c1-2-10-25(11-3-1)31-21-18-27-13-5-7-15-30(27)38(31)41-34-22-19-26-12-4-6-14-29(26)37(34)40-39(41)28-20-23-36-33(24-28)32-16-8-9-17-35(32)42-36;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-19,21-24H;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyXAIBWJIQEIYGLR-UHFFFAOYSA-N
MW1054.85 g/mol
LogP14.66
Rot. Bonds7

About 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 171435703) has the molecular formula C57H47GeIrN3O-2 and a molecular weight of 1054.85 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID171435703
Molecular FormulaC57H47GeIrN3O-2
Molecular Weight1054.85 g/mol
Exact Mass1056.26
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C39H23N2O.C18H24GeN.Ir/c1-2-10-25(11-3-1)31-21-18-27-13-5-7-15-30(27)38(31)41-34-22-19-26-12-4-6-14-29(26)37(34)40-39(41)28-20-23-36-33(24-28)32-16-8-9-17-35(32)42-36;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-19,21-24H;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyXAIBWJIQEIYGLR-UHFFFAOYSA-N
XLogP14.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.85
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
CID 161201739
3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156657784
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668337
3-(2,6-dimethyl-4-phenylphenyl)-2-(9-ethyl-2H-carbazol-2-id-3-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167333032
2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156658879
6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671837
2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667958
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156659963
iridium;3-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 166499010
1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166498981
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
3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 176644236

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 171435703) is 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is XAIBWJIQEIYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N2O.C18H24GeN.Ir/c1-2-10-25(11-3-1)31-21-18-27-13-5-7-15-30(27)38(31)41-34-22-19-26-12-4-6-14-29(26)37(34)40-39(41)28-20-23-36-33(24-28)32-16-8-9-17-35(32)42-36;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-19,21-24H;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1054.85 g/mol, XLogP of 14.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 171435703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).