2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C53H51GeIrN3-2 — CID 156658131

IUPAC2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[Ir]
InChIInChI=1S/C34H25N2.C19H26GeN.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;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-17,19-22H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyPNYFHQZBKHTJOV-UHFFFAOYSA-N
MW994.84 g/mol
LogP13.15
Rot. Bonds6

About 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156658131) has the molecular formula C53H51GeIrN3-2 and a molecular weight of 994.84 g/mol. Its IUPAC name is 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
PubChem CID156658131
Molecular FormulaC53H51GeIrN3-2
Molecular Weight994.84 g/mol
Exact Mass996.29
IUPAC Name2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[Ir]
InChIInChI=1S/C34H25N2.C19H26GeN.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;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-17,19-22H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyPNYFHQZBKHTJOV-UHFFFAOYSA-N
XLogP13.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.84
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[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
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
[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
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 166499117
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156668951
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 162776775
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 162445523
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
3-(4-tert-butylphenyl)-6-methyl-2-(1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156670851
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657115

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 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) is 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](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;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is PNYFHQZBKHTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N2.C19H26GeN.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;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-17,19-22H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.
What are the key properties of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 994.84 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156658131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).