4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C42H40IrN2OSi-2 — CID 171435891

IUPAC4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]cc3oc4cccc(-c5ccccc5)c4c3c2)cc1C(C)(C)C.[Ir]
InChIInChI=1S/C28H24NO.C14H16NSi.Ir/c1-18-17-29-24(16-23(18)28(2,3)4)20-13-14-25-22(15-20)27-21(11-8-12-26(27)30-25)19-9-6-5-7-10-19;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h5-12,14-17H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyZLCNQHSOIPRVFO-UHFFFAOYSA-N
MW809.10 g/mol
LogP10.81
Rot. Bonds4

About 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 171435891) has the molecular formula C42H40IrN2OSi-2 and a molecular weight of 809.10 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID171435891
Molecular FormulaC42H40IrN2OSi-2
Molecular Weight809.10 g/mol
Exact Mass809.26
IUPAC Name4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]cc3oc4cccc(-c5ccccc5)c4c3c2)cc1C(C)(C)C.[Ir]
InChIInChI=1S/C28H24NO.C14H16NSi.Ir/c1-18-17-29-24(16-23(18)28(2,3)4)20-13-14-25-22(15-20)27-21(11-8-12-26(27)30-25)19-9-6-5-7-10-19;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h5-12,14-17H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyZLCNQHSOIPRVFO-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 ≤ 500809.10
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane 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

4-(2,2-dimethylpropyl)-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576847
4-[cyclopentyl(dideuterio)methyl]-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577689
iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 169291733
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575711
4-tert-butyl-2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162710292
4-(2,2-dimethylpropyl)-2-(7-phenyl-6-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578006
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164832475
iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162707675
2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162707338

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 171435891) is 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]cc3oc4cccc(-c5ccccc5)c4c3c2)cc1C(C)(C)C.[Ir].
What is the InChIKey of 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is ZLCNQHSOIPRVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NO.C14H16NSi.Ir/c1-18-17-29-24(16-23(18)28(2,3)4)20-13-14-25-22(15-20)27-21(11-8-12-26(27)30-25)19-9-6-5-7-10-19;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h5-12,14-17H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 809.10 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-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 171435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).