[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

C61H65IrN3Si-2 — CID 167355613

IUPAC[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
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3c(c2)-c2cc(-c4ccccc4)ccc2C3(C)C)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[Ir]
InChIInChI=1S/C40H37N2.C21H28NSi.Ir/c1-25(2)30-15-12-16-31(26(3)4)38(30)42-37-18-11-10-17-36(37)41-39(42)29-20-22-35-33(24-29)32-23-28(27-13-8-7-9-14-27)19-21-34(32)40(35,5)6;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h7-19,21-26H,1-6H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;/i;14D2;
InChIKeySVZXDPSBTFIGNI-YYWUDGSWSA-N
MW1062.53 g/mol
LogP15.93
Rot. Bonds9

About [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

[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 (PubChem CID 167355613) has the molecular formula C61H65IrN3Si-2 and a molecular weight of 1062.53 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID167355613
Molecular FormulaC61H65IrN3Si-2
Molecular Weight1062.53 g/mol
Exact Mass1062.47
IUPAC Name[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
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3c(c2)-c2cc(-c4ccccc4)ccc2C3(C)C)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[Ir]
InChIInChI=1S/C40H37N2.C21H28NSi.Ir/c1-25(2)30-15-12-16-31(26(3)4)38(30)42-37-18-11-10-17-36(37)41-39(42)29-20-22-35-33(24-29)32-23-28(27-13-8-7-9-14-27)19-21-34(32)40(35,5)6;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h7-19,21-26H,1-6H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;/i;14D2;
InChIKeySVZXDPSBTFIGNI-YYWUDGSWSA-N
XLogP15.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.53
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[cyclohexyl(dideuterio)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156667812
2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156659592
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-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 162445523
[4-[cyclohexyl(dideuterio)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-[cyclopentyl(dideuterio)methyl]-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide)
CID 159229917
[4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium
CID 166498936
CID 167332375
CID 167332375
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 156657540
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657888
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;4-[4-(1-deuteriocyclopentyl)phenyl]-2-phenylpyridine;iridium
CID 166563942
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3c(c2)-c2cc(-c4ccccc4)ccc2C3(C)C)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[Ir].
What is the InChIKey of [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?
The InChIKey is SVZXDPSBTFIGNI-YYWUDGSWSA-N. The full InChI is InChI=1S/C40H37N2.C21H28NSi.Ir/c1-25(2)30-15-12-16-31(26(3)4)38(30)42-37-18-11-10-17-36(37)41-39(42)29-20-22-35-33(24-29)32-23-28(27-13-8-7-9-14-27)19-21-34(32)40(35,5)6;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h7-19,21-26H,1-6H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;/i;14D2;.
What are the key properties of [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?
[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 has a molecular weight of 1062.53 g/mol, XLogP of 15.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 167355613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).