2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane

C51H48IrN4Si-2 — CID 156659214

IUPAC2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[Ir]
InChIInChI=1S/C34H25N2.C17H23N2Si.Ir/c1-34(2)29-13-7-6-12-27(29)28-22-25(18-21-30(28)34)33-35-31-14-8-9-15-32(31)36(33)26-19-16-24(17-20-26)23-10-4-3-5-11-23;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;/h3-17,19-22H,1-2H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1;
InChIKeyVSBAAFYYBJIVRA-UHFFFAOYSA-N
MW937.28 g/mol
LogP12.15
Rot. Bonds7

About 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane

2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane (PubChem CID 156659214) has the molecular formula C51H48IrN4Si-2 and a molecular weight of 937.28 g/mol. Its IUPAC name is 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
PubChem CID156659214
Molecular FormulaC51H48IrN4Si-2
Molecular Weight937.28 g/mol
Exact Mass937.33
IUPAC Name2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[Ir]
InChIInChI=1S/C34H25N2.C17H23N2Si.Ir/c1-34(2)29-13-7-6-12-27(29)28-22-25(18-21-30(28)34)33-35-31-14-8-9-15-32(31)36(33)26-19-16-24(17-20-26)23-10-4-3-5-11-23;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;/h3-17,19-22H,1-2H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1;
InChIKeyVSBAAFYYBJIVRA-UHFFFAOYSA-N
XLogP12.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.28
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
CID 156660400
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-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658131
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156658598
iridium;1-phenyl-2-(3H-triphenylen-3-id-2-yl)benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164750058
[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-6-phenyl-2H-fluoren-2-id-3-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 167355613
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium
CID 171435697
iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667530
2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 165161686
CID 167332375
CID 167332375
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 167331851
iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670648

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
The IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane (CID 156659214) is 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane.
What is the SMILES notation for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
The canonical SMILES for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[Ir].
What is the InChIKey of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
The InChIKey is VSBAAFYYBJIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N2.C17H23N2Si.Ir/c1-34(2)29-13-7-6-12-27(29)28-22-25(18-21-30(28)34)33-35-31-14-8-9-15-32(31)36(33)26-19-16-24(17-20-26)23-10-4-3-5-11-23;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;/h3-17,19-22H,1-2H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1;.
What are the key properties of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane has a molecular weight of 937.28 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane is sourced from PubChem (CID 156659214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).