iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane

C34H32IrN2SSi-2 — CID 155608718

IUPACiridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C20H18NSSi.C14H14N.Ir/c1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h4-7,9-13H,1-3H3;3-6,8-11H,1-2H3;/q2*-1;
InChIKeyCUXPPVMSAHCFKK-UHFFFAOYSA-N
MW721.01 g/mol
LogP9.13
Rot. Bonds4

About iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane

iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane (PubChem CID 155608718) has the molecular formula C34H32IrN2SSi-2 and a molecular weight of 721.01 g/mol. Its IUPAC name is iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane.

Molecular Properties

Compound Nameiridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane
PubChem CID155608718
Molecular FormulaC34H32IrN2SSi-2
Molecular Weight721.01 g/mol
Exact Mass721.17
IUPAC Nameiridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C20H18NSSi.C14H14N.Ir/c1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h4-7,9-13H,1-3H3;3-6,8-11H,1-2H3;/q2*-1;
InChIKeyCUXPPVMSAHCFKK-UHFFFAOYSA-N
XLogP9.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.01
LogP ≤ 59.13
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'}

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Related Compounds

iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 164832449
iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 155608412
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608345
[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608738
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608767
iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608336
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576410
[4-[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-dibenzothiophen-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576827
iridium;2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608999
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
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575790
4-(2-deuteriopropan-2-yl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 165171094

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane?
The IUPAC name of iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane (CID 155608718) is iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane.
What is the SMILES notation for iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane?
The canonical SMILES for iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane is CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.[Ir].
What is the InChIKey of iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane?
The InChIKey is CUXPPVMSAHCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NSSi.C14H14N.Ir/c1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h4-7,9-13H,1-3H3;3-6,8-11H,1-2H3;/q2*-1;.
What are the key properties of iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane?
iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane has a molecular weight of 721.01 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane is sourced from PubChem (CID 155608718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).