8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium

C55H46GeIrN4OS-2 — CID 156670523

IUPAC8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3nc(-c5ccccc5)ccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C34H26N3S.C21H20GeNO.Ir/c1-34(2,3)23-16-18-24(19-17-23)37-30-15-8-7-14-29(30)35-32(37)27-13-9-12-25-26-20-21-28(22-10-5-4-6-11-22)36-33(26)38-31(25)27;1-14-11-19(23-13-18(14)22(2,3)4)15-9-10-21-17(12-15)16-7-5-6-8-20(16)24-21;/h4-12,14-21H,1-3H3;5-8,10-13H,1-4H3;/q2*-1;
InChIKeyCXVHIYIFNMRJDH-UHFFFAOYSA-N
MW1075.89 g/mol
LogP14.52
Rot. Bonds5

About 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156670523) has the molecular formula C55H46GeIrN4OS-2 and a molecular weight of 1075.89 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium
PubChem CID156670523
Molecular FormulaC55H46GeIrN4OS-2
Molecular Weight1075.89 g/mol
Exact Mass1077.22
IUPAC Name8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3nc(-c5ccccc5)ccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C34H26N3S.C21H20GeNO.Ir/c1-34(2,3)23-16-18-24(19-17-23)37-30-15-8-7-14-29(30)35-32(37)27-13-9-12-25-26-20-21-28(22-10-5-4-6-11-22)36-33(26)38-31(25)27;1-14-11-19(23-13-18(14)22(2,3)4)15-9-10-21-17(12-15)16-7-5-6-8-20(16)24-21;/h4-12,14-21H,1-3H3;5-8,10-13H,1-4H3;/q2*-1;
InChIKeyCXVHIYIFNMRJDH-UHFFFAOYSA-N
XLogP14.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.89
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium with MolForge

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Related Compounds

iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane
CID 156668723
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156658176
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156657870
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 156657174
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
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156660628
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)
CID 163981947
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-methyl-6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]silane
CID 156659651
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156659104
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657115
[6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium
CID 170531868
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156660550

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium (CID 156670523) is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3nc(-c5ccccc5)ccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is CXVHIYIFNMRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N3S.C21H20GeNO.Ir/c1-34(2,3)23-16-18-24(19-17-23)37-30-15-8-7-14-29(30)35-32(37)27-13-9-12-25-26-20-21-28(22-10-5-4-6-11-22)36-33(26)38-31(25)27;1-14-11-19(23-13-18(14)22(2,3)4)15-9-10-21-17(12-15)16-7-5-6-8-20(16)24-21;/h4-12,14-21H,1-3H3;5-8,10-13H,1-4H3;/q2*-1;.
What are the key properties of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium?
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1075.89 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156670523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).