[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

C60H63IrN3OSi-2 — CID 156658996

IUPAC[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C39H35N2O.C21H28NSi.Ir/c1-23(2)31-21-28(27-12-8-7-9-13-27)22-32(24(3)4)37(31)41-34-15-11-10-14-33(34)40-39(41)30-19-17-26(6)36-29-18-16-25(5)20-35(29)42-38(30)36;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;/h7-18,20-24H,1-6H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;
InChIKeyFPGOBVSGCHXZAG-UHFFFAOYSA-N
MW1062.49 g/mol
LogP16.14
Rot. Bonds9

About [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (PubChem CID 156658996) has the molecular formula C60H63IrN3OSi-2 and a molecular weight of 1062.49 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
PubChem CID156658996
Molecular FormulaC60H63IrN3OSi-2
Molecular Weight1062.49 g/mol
Exact Mass1062.44
IUPAC Name[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C39H35N2O.C21H28NSi.Ir/c1-23(2)31-21-28(27-12-8-7-9-13-27)22-32(24(3)4)37(31)41-34-15-11-10-14-33(34)40-39(41)30-19-17-26(6)36-29-18-16-25(5)20-35(29)42-38(30)36;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;/h7-18,20-24H,1-6H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;
InChIKeyFPGOBVSGCHXZAG-UHFFFAOYSA-N
XLogP16.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.49
LogP ≤ 516.14
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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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The IUPAC name of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (CID 156658996) is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.
What is the SMILES notation for [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The canonical SMILES for [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[Ir].
What is the InChIKey of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The InChIKey is FPGOBVSGCHXZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N2O.C21H28NSi.Ir/c1-23(2)31-21-28(27-12-8-7-9-13-27)22-32(24(3)4)37(31)41-34-15-11-10-14-33(34)40-39(41)30-19-17-26(6)36-29-18-16-25(5)20-35(29)42-38(30)36;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;/h7-18,20-24H,1-6H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;.
What are the key properties of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium has a molecular weight of 1062.49 g/mol, XLogP of 16.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is sourced from PubChem (CID 156658996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).