4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C42H40GeIrN2O-2 — CID 166576500

IUPAC4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cccc(-c4ccccc4)c23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C27H22NO.C15H18GeN.Ir/c1-27(2,3)19-15-16-28-23(17-19)21-12-7-13-22-25-20(18-9-5-4-6-10-18)11-8-14-24(25)29-26(21)22;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h4-11,13-17H,1-3H3;5-8,10-11H,1-4H3;/q2*-1;
InChIKeyQJCYIHNLENTESP-UHFFFAOYSA-N
MW853.62 g/mol
LogP10.81
Rot. Bonds4

About 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166576500) has the molecular formula C42H40GeIrN2O-2 and a molecular weight of 853.62 g/mol. Its IUPAC name is 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
PubChem CID166576500
Molecular FormulaC42H40GeIrN2O-2
Molecular Weight853.62 g/mol
Exact Mass855.20
IUPAC Name4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cccc(-c4ccccc4)c23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C27H22NO.C15H18GeN.Ir/c1-27(2,3)19-15-16-28-23(17-19)21-12-7-13-22-25-20(18-9-5-4-6-10-18)11-8-14-24(25)29-26(21)22;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h4-11,13-17H,1-3H3;5-8,10-11H,1-4H3;/q2*-1;
InChIKeyQJCYIHNLENTESP-UHFFFAOYSA-N
XLogP10.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.62
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-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

iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166574064
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;iridium
CID 176851564
4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164711632
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166578774
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
4-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 164712176
iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166575307
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578469
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576727
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-(4-methyl-5-trimethylgermyl-2-pyridinyl)-2-phenylbenzene-5-ide-1-carboperoxoic acid
CID 166576032

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The IUPAC name of 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166576500) is 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cccc(-c4ccccc4)c23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The InChIKey is QJCYIHNLENTESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22NO.C15H18GeN.Ir/c1-27(2,3)19-15-16-28-23(17-19)21-12-7-13-22-25-20(18-9-5-4-6-10-18)11-8-14-24(25)29-26(21)22;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h4-11,13-17H,1-3H3;5-8,10-11H,1-4H3;/q2*-1;.
What are the key properties of 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 853.62 g/mol, XLogP of 10.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166576500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).