iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane

C43H39GeIrN3S-2 — CID 156658904

IUPACiridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc3sc4c(-c5nc6ccccc6n5C(C)C)[c-]ccc4c3c2)cc1.[Ir]
InChIInChI=1S/C29H23N2S.C14H16GeN.Ir/c1-18(2)31-26-10-5-4-9-25(26)30-29(31)23-8-6-7-22-24-17-21(15-16-27(24)32-28(22)23)20-13-11-19(3)12-14-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-7,9-18H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;/i3D3;;
InChIKeyWPQXGEIMTZUYQF-RNHVAZJGSA-N
MW897.72 g/mol
LogP11.52
Rot. Bonds6

About iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156658904) has the molecular formula C43H39GeIrN3S-2 and a molecular weight of 897.72 g/mol. Its IUPAC name is iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156658904
Molecular FormulaC43H39GeIrN3S-2
Molecular Weight897.72 g/mol
Exact Mass899.19
IUPAC Nameiridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc3sc4c(-c5nc6ccccc6n5C(C)C)[c-]ccc4c3c2)cc1.[Ir]
InChIInChI=1S/C29H23N2S.C14H16GeN.Ir/c1-18(2)31-26-10-5-4-9-25(26)30-29(31)23-8-6-7-22-24-17-21(15-16-27(24)32-28(22)23)20-13-11-19(3)12-14-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-7,9-18H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;/i3D3;;
InChIKeyWPQXGEIMTZUYQF-RNHVAZJGSA-N
XLogP11.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.72
LogP ≤ 511.52
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

1-(2,6-dimethyl-4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156659921
8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156670860
1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658506
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575203
iridium;4-(3-methylbutan-2-yl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574084
1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659255
iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156671776
4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575536
4-(2,2-dimethylpropyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574875
2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156670824
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576046
3-[3,5-bis(trideuteriomethyl)phenyl]-8-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670631

Frequently Asked Questions

What is the IUPAC name of iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156658904) is iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc3sc4c(-c5nc6ccccc6n5C(C)C)[c-]ccc4c3c2)cc1.[Ir].
What is the InChIKey of iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is WPQXGEIMTZUYQF-RNHVAZJGSA-N. The full InChI is InChI=1S/C29H23N2S.C14H16GeN.Ir/c1-18(2)31-26-10-5-4-9-25(26)30-29(31)23-8-6-7-22-24-17-21(15-16-27(24)32-28(22)23)20-13-11-19(3)12-14-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-7,9-18H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;/i3D3;;.
What are the key properties of iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 897.72 g/mol, XLogP of 11.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156658904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).