[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium

C67H57GeIrN3S-2 — CID 156658612

IUPAC[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium
SMILESCC(C)c1ccc2c(c1)sc1c(-c3nc4c5ccccc5ccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C50H35N2S.C17H22GeN.Ir/c1-32(2)37-22-25-41-46(31-37)53-49-42(27-26-39(47(41)49)34-16-8-4-9-17-34)50-51-48-40-21-13-12-20-36(40)23-29-45(48)52(50)44-28-24-38(33-14-6-3-7-15-33)30-43(44)35-18-10-5-11-19-35;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-26,28-32H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyHBGIWYMAGDTZBG-LTBAMTPYSA-N
MW1202.11 g/mol
LogP18.35
Rot. Bonds9

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium (PubChem CID 156658612) has the molecular formula C67H57GeIrN3S-2 and a molecular weight of 1202.11 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium
PubChem CID156658612
Molecular FormulaC67H57GeIrN3S-2
Molecular Weight1202.11 g/mol
Exact Mass1203.32
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium
SMILESCC(C)c1ccc2c(c1)sc1c(-c3nc4c5ccccc5ccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C50H35N2S.C17H22GeN.Ir/c1-32(2)37-22-25-41-46(31-37)53-49-42(27-26-39(47(41)49)34-16-8-4-9-17-34)50-51-48-40-21-13-12-20-36(40)23-29-45(48)52(50)44-28-24-38(33-14-6-3-7-15-33)30-43(44)35-18-10-5-11-19-35;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-26,28-32H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyHBGIWYMAGDTZBG-LTBAMTPYSA-N
XLogP18.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.11
LogP ≤ 518.35
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

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 156660049
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;3-propan-2-yl-2-(7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole
CID 156658995
iridium;3-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578907
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
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium
CID 156660435
iridium;4-phenyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578543
4-[1-deuterio-1-(1-deuteriocyclohexyl)ethyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611405
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 162776935
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;iridium
CID 156657034
4-(2-deuteriopropan-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 170941193
3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658147
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium
CID 156671374

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium (CID 156658612) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium is CC(C)c1ccc2c(c1)sc1c(-c3nc4c5ccccc5ccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium?
The InChIKey is HBGIWYMAGDTZBG-LTBAMTPYSA-N. The full InChI is InChI=1S/C50H35N2S.C17H22GeN.Ir/c1-32(2)37-22-25-41-46(31-37)53-49-42(27-26-39(47(41)49)34-16-8-4-9-17-34)50-51-48-40-21-13-12-20-36(40)23-29-45(48)52(50)44-28-24-38(33-14-6-3-7-15-33)30-43(44)35-18-10-5-11-19-35;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-26,28-32H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium?
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium has a molecular weight of 1202.11 g/mol, XLogP of 18.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium is sourced from PubChem (CID 156658612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).