6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

C47H47FGeIrN4O-2 — CID 156670702

IUPAC6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)cc12.[Ir]
InChIInChI=1S/C29H24N3O.C18H23FGeN.Ir/c1-18-9-15-22-23-17-19(10-16-26(23)33-28(22)30-18)27-31-24-7-5-6-8-25(24)32(27)21-13-11-20(12-14-21)29(2,3)4;1-13(2)10-14-11-18(15-8-6-7-9-16(15)19)21-12-17(14)20(3,4)5;/h5-9,11-17H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;/i1D3;;
InChIKeyFIPIPJQNBDRQBP-GXXYEPOPSA-N
MW970.76 g/mol
LogP11.82
Rot. Bonds7

About 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156670702) has the molecular formula C47H47FGeIrN4O-2 and a molecular weight of 970.76 g/mol. Its IUPAC name is 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID156670702
Molecular FormulaC47H47FGeIrN4O-2
Molecular Weight970.76 g/mol
Exact Mass972.28
IUPAC Name6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)cc12.[Ir]
InChIInChI=1S/C29H24N3O.C18H23FGeN.Ir/c1-18-9-15-22-23-17-19(10-16-26(23)33-28(22)30-18)27-31-24-7-5-6-8-25(24)32(27)21-13-11-20(12-14-21)29(2,3)4;1-13(2)10-14-11-18(15-8-6-7-9-16(15)19)21-12-17(14)20(3,4)5;/h5-9,11-17H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;/i1D3;;
InChIKeyFIPIPJQNBDRQBP-GXXYEPOPSA-N
XLogP11.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.76
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;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-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 156671462
iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane
CID 170532049
6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667638
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668337
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672260
8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671429
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156671159
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156659963
iridium;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660197
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium
CID 156668772
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane
CID 156660745
1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166498981

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (CID 156670702) is 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)cc12.[Ir].
What is the InChIKey of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is FIPIPJQNBDRQBP-GXXYEPOPSA-N. The full InChI is InChI=1S/C29H24N3O.C18H23FGeN.Ir/c1-18-9-15-22-23-17-19(10-16-26(23)33-28(22)30-18)27-31-24-7-5-6-8-25(24)32(27)21-13-11-20(12-14-21)29(2,3)4;1-13(2)10-14-11-18(15-8-6-7-9-16(15)19)21-12-17(14)20(3,4)5;/h5-9,11-17H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;/i1D3;;.
What are the key properties of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 970.76 g/mol, XLogP of 11.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156670702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).