[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

C66H67GeIrN3OS-2 — CID 156658358

IUPAC[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESCC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3sc4ccc(CC(C)(C)C)cc4c3c2)nc2ccccc21.[Ir]
InChIInChI=1S/C42H41N2S.C24H26GeNO.Ir/c1-26(2)32-23-31(29-13-9-8-10-14-29)24-33(27(3)4)40(32)44-37-16-12-11-15-36(37)43-41(44)30-18-20-39-35(22-30)34-21-28(25-42(5,6)7)17-19-38(34)45-39;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;/h8-17,19-24,26-27H,25H2,1-7H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;
InChIKeyKNVSNRBBMAHLOD-UHFFFAOYSA-N
MW1215.18 g/mol
LogP18.55
Rot. Bonds10

About [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (PubChem CID 156658358) has the molecular formula C66H67GeIrN3OS-2 and a molecular weight of 1215.18 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
PubChem CID156658358
Molecular FormulaC66H67GeIrN3OS-2
Molecular Weight1215.18 g/mol
Exact Mass1216.39
IUPAC Name[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESCC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3sc4ccc(CC(C)(C)C)cc4c3c2)nc2ccccc21.[Ir]
InChIInChI=1S/C42H41N2S.C24H26GeNO.Ir/c1-26(2)32-23-31(29-13-9-8-10-14-29)24-33(27(3)4)40(32)44-37-16-12-11-15-36(37)43-41(44)30-18-20-39-35(22-30)34-21-28(25-42(5,6)7)17-19-38(34)45-39;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;/h8-17,19-24,26-27H,25H2,1-7H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;
InChIKeyKNVSNRBBMAHLOD-UHFFFAOYSA-N
XLogP18.55
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.18
LogP ≤ 518.55
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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Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (CID 156658358) is [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3sc4ccc(CC(C)(C)C)cc4c3c2)nc2ccccc21.[Ir].
What is the InChIKey of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The InChIKey is KNVSNRBBMAHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N2S.C24H26GeNO.Ir/c1-26(2)32-23-31(29-13-9-8-10-14-29)24-33(27(3)4)40(32)44-37-16-12-11-15-36(37)43-41(44)30-18-20-39-35(22-30)34-21-28(25-42(5,6)7)17-19-38(34)45-39;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;/h8-17,19-24,26-27H,25H2,1-7H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;.
What are the key properties of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium has a molecular weight of 1215.18 g/mol, XLogP of 18.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;2-[8-(2,2-dimethylpropyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is sourced from PubChem (CID 156658358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).