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

C55H53GeIrN3O2-2 — CID 156659963

IUPAC2-(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
SMILESCC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.[Ir]
InChIInChI=1S/C31H27N2O.C24H26GeNO.Ir/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h5-15,17-20H,1-4H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;
InChIKeyPHQPKSNLIORLAC-UHFFFAOYSA-N
MW1052.87 g/mol
LogP14.83
Rot. Bonds8

About 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

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 (PubChem CID 156659963) has the molecular formula C55H53GeIrN3O2-2 and a molecular weight of 1052.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID156659963
Molecular FormulaC55H53GeIrN3O2-2
Molecular Weight1052.87 g/mol
Exact Mass1054.30
IUPAC Name2-(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
SMILESCC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.[Ir]
InChIInChI=1S/C31H27N2O.C24H26GeNO.Ir/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h5-15,17-20H,1-4H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;
InChIKeyPHQPKSNLIORLAC-UHFFFAOYSA-N
XLogP14.83
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.87
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671354
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane
CID 156660745
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
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-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
CID 156659497
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
2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzimidazole;iridium
CID 177076015
[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 156659708
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
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-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(3-methyl-7H-[1]benzofuro[3,2-c]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 170532065
iridium;2-phenyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156669944

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.[Ir].
What is the InChIKey of 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?
The InChIKey is PHQPKSNLIORLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N2O.C24H26GeNO.Ir/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h5-15,17-20H,1-4H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1052.87 g/mol, XLogP of 14.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156659963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).