iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C33H32IrN2Si-2 — CID 162709837

IUPACiridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESCC(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C19H16N.C14H16NSi.Ir/c1-15(16-8-4-2-5-9-16)18-12-13-20-19(14-18)17-10-6-3-7-11-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-10,12-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeySMPUQNJCUGHCIM-UHFFFAOYSA-N
MW676.94 g/mol
LogP7.79
Rot. Bonds5

About iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 162709837) has the molecular formula C33H32IrN2Si-2 and a molecular weight of 676.94 g/mol. Its IUPAC name is iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID162709837
Molecular FormulaC33H32IrN2Si-2
Molecular Weight676.94 g/mol
Exact Mass677.20
IUPAC Nameiridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESCC(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C19H16N.C14H16NSi.Ir/c1-15(16-8-4-2-5-9-16)18-12-13-20-19(14-18)17-10-6-3-7-11-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-10,12-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeySMPUQNJCUGHCIM-UHFFFAOYSA-N
XLogP7.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.94
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

iridium;2-[7-(1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162707539
4-tert-butyl-2-[7-(1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162707564
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164832475
2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine
CID 162707348
[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine
CID 162707677
iridium;2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573461
iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162707114
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577806
iridium;5-methyl-2-phenylpyridine;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162710156
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 162708058
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 164832449
4-(2-deuteriopropan-2-yl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578701

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 162709837) is iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is CC(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is SMPUQNJCUGHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.C14H16NSi.Ir/c1-15(16-8-4-2-5-9-16)18-12-13-20-19(14-18)17-10-6-3-7-11-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-10,12-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 676.94 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 162709837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).