[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium

C60H49FIrN4OSi-2 — CID 156668358

IUPAC[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium
SMILESFc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)c3oc4cc(-c5ccccc5)cnc4c23)cc1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
InChIInChI=1S/C42H25FN3O.C18H24NSi.Ir/c43-32-19-15-30(16-20-32)34-23-24-35(41-39(34)40-38(47-41)25-31(26-44-40)28-11-5-2-6-12-28)42-45-36-13-7-8-14-37(36)46(42)33-21-17-29(18-22-33)27-9-3-1-4-10-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-23,25-26H;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;
InChIKeyWMHIHBKMQDFWSP-YXZWVCJGSA-N
MW1083.39 g/mol
LogP15.22
Rot. Bonds9

About [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium

[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium (PubChem CID 156668358) has the molecular formula C60H49FIrN4OSi-2 and a molecular weight of 1083.39 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium.

Molecular Properties

Compound Name[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium
PubChem CID156668358
Molecular FormulaC60H49FIrN4OSi-2
Molecular Weight1083.39 g/mol
Exact Mass1083.34
IUPAC Name[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium
SMILESFc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)c3oc4cc(-c5ccccc5)cnc4c23)cc1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
InChIInChI=1S/C42H25FN3O.C18H24NSi.Ir/c43-32-19-15-30(16-20-32)34-23-24-35(41-39(34)40-38(47-41)25-31(26-44-40)28-11-5-2-6-12-28)42-45-36-13-7-8-14-37(36)46(42)33-21-17-29(18-22-33)27-9-3-1-4-10-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-23,25-26H;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;
InChIKeyWMHIHBKMQDFWSP-YXZWVCJGSA-N
XLogP15.22
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.39
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;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

6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176644330
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657132
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)dibenzofuran-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 167332275
1-(4-tert-butyl-2-phenylphenyl)-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 176593390
[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
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156670457
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
2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658615
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156659104
1-dibenzofuran-4-yl-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,3-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156658041
1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167332806
2-tert-butyl-8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667742

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?
The IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium (CID 156668358) is [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium.
What is the SMILES notation for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?
The canonical SMILES for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium is Fc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)c3oc4cc(-c5ccccc5)cnc4c23)cc1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].
What is the InChIKey of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?
The InChIKey is WMHIHBKMQDFWSP-YXZWVCJGSA-N. The full InChI is InChI=1S/C42H25FN3O.C18H24NSi.Ir/c43-32-19-15-30(16-20-32)34-23-24-35(41-39(34)40-38(47-41)25-31(26-44-40)28-11-5-2-6-12-28)42-45-36-13-7-8-14-37(36)46(42)33-21-17-29(18-22-33)27-9-3-1-4-10-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-23,25-26H;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;.
What are the key properties of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium has a molecular weight of 1083.39 g/mol, XLogP of 15.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;9-(4-fluorophenyl)-3-phenyl-6-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156668358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).