4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane

C34H30IrN2SSi-2 — CID 155608653

IUPAC4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane
SMILESC[Si](C)(C)c1cccc2sc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[c-]1ccccc1-c1cc(C2CC2)ccn1
InChIInChI=1S/C20H18NSSi.C14H12N.Ir/c1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-2-4-12(5-3-1)14-10-13(8-9-15-14)11-6-7-11;/h4-7,9-13H,1-3H3;1-4,8-11H,6-7H2;/q2*-1;
InChIKeyWKLJPCDJEVEKGI-UHFFFAOYSA-N
MW719.00 g/mol
LogP8.89
Rot. Bonds4

About 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane

4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane (PubChem CID 155608653) has the molecular formula C34H30IrN2SSi-2 and a molecular weight of 719.00 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane.

Molecular Properties

Compound Name4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane
PubChem CID155608653
Molecular FormulaC34H30IrN2SSi-2
Molecular Weight719.00 g/mol
Exact Mass719.15
IUPAC Name4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane
SMILESC[Si](C)(C)c1cccc2sc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[c-]1ccccc1-c1cc(C2CC2)ccn1
InChIInChI=1S/C20H18NSSi.C14H12N.Ir/c1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-2-4-12(5-3-1)14-10-13(8-9-15-14)11-6-7-11;/h4-7,9-13H,1-3H3;1-4,8-11H,6-7H2;/q2*-1;
InChIKeyWKLJPCDJEVEKGI-UHFFFAOYSA-N
XLogP8.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.00
LogP ≤ 58.89
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-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane with MolForge

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Related Compounds

[6-(4-cyclopropyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 155608346
tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
CID 158093741
[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)
CID 161010587
[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608896
4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane
CID 155608387
4-cyclohexyl-2-(9-naphthalen-1-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039315
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)
CID 161340030
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 162201721
tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
CID 157084397
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608345
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608774
[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608738

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane?
The IUPAC name of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane (CID 155608653) is 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane.
What is the SMILES notation for 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane?
The canonical SMILES for 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane is C[Si](C)(C)c1cccc2sc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[c-]1ccccc1-c1cc(C2CC2)ccn1.
What is the InChIKey of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane?
The InChIKey is WKLJPCDJEVEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NSSi.C14H12N.Ir/c1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-2-4-12(5-3-1)14-10-13(8-9-15-14)11-6-7-11;/h4-7,9-13H,1-3H3;1-4,8-11H,6-7H2;/q2*-1;.
What are the key properties of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane?
4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane has a molecular weight of 719.00 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane is sourced from PubChem (CID 155608653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).