iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane

C50H38GeIrN4O-2 — CID 156669876

IUPACiridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c([2H])c1[2H].[Ir]
InChIInChI=1S/C36H22N3O.C14H16GeN.Ir/c1-3-12-24(13-4-1)26-16-7-9-20-32(26)39-33-21-10-8-19-31(33)37-35(39)29-18-11-17-27-28-22-23-30(25-14-5-2-6-15-25)38-36(28)40-34(27)29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-17,19-23H;4-7,9-11H,1-3H3;/q2*-1;/i1D,3D,4D,7D,9D,12D,13D,16D,20D;;
InChIKeyPBBHKIJBFKVFTL-RNUXUTFASA-N
MW984.76 g/mol
LogP12.21
Rot. Bonds6

About iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156669876) has the molecular formula C50H38GeIrN4O-2 and a molecular weight of 984.76 g/mol. Its IUPAC name is iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156669876
Molecular FormulaC50H38GeIrN4O-2
Molecular Weight984.76 g/mol
Exact Mass986.25
IUPAC Nameiridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c([2H])c1[2H].[Ir]
InChIInChI=1S/C36H22N3O.C14H16GeN.Ir/c1-3-12-24(13-4-1)26-16-7-9-20-32(26)39-33-21-10-8-19-31(33)37-35(39)29-18-11-17-27-28-22-23-30(25-14-5-2-6-15-25)38-36(28)40-34(27)29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-17,19-23H;4-7,9-11H,1-3H3;/q2*-1;/i1D,3D,4D,7D,9D,12D,13D,16D,20D;;
InChIKeyPBBHKIJBFKVFTL-RNUXUTFASA-N
XLogP12.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.76
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane 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

8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669875
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156667756
iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670299
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670468
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672193
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672203
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-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658533
iridium;2-phenyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156669944
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156671803
8-[1-(2-tert-butylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156672238

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156669876) is iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c([2H])c1[2H].[Ir].
What is the InChIKey of iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is PBBHKIJBFKVFTL-RNUXUTFASA-N. The full InChI is InChI=1S/C36H22N3O.C14H16GeN.Ir/c1-3-12-24(13-4-1)26-16-7-9-20-32(26)39-33-21-10-8-19-31(33)37-35(39)29-18-11-17-27-28-22-23-30(25-14-5-2-6-15-25)38-36(28)40-34(27)29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-17,19-23H;4-7,9-11H,1-3H3;/q2*-1;/i1D,3D,4D,7D,9D,12D,13D,16D,20D;;.
What are the key properties of iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 984.76 g/mol, XLogP of 12.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156669876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).