[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C23H32IrNSi- — CID 154591950

IUPAC[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)c1cc[c-]c(-c2cc(CC3CCCC3)c([Si](C)(C)C)cn2)c1.[Ir]
InChIInChI=1S/C23H32NSi.Ir/c1-17(2)19-11-8-12-20(14-19)22-15-21(13-18-9-6-7-10-18)23(16-24-22)25(3,4)5;/h8,11,14-18H,6-7,9-10,13H2,1-5H3;/q-1;
InChIKeyMIUDOCLWOUDYND-UHFFFAOYSA-N
MW542.82 g/mol
LogP5.95
Rot. Bonds5

About [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 154591950) has the molecular formula C23H32IrNSi- and a molecular weight of 542.82 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID154591950
Molecular FormulaC23H32IrNSi-
Molecular Weight542.82 g/mol
Exact Mass543.19
IUPAC Name[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)c1cc[c-]c(-c2cc(CC3CCCC3)c([Si](C)(C)C)cn2)c1.[Ir]
InChIInChI=1S/C23H32NSi.Ir/c1-17(2)19-11-8-12-20(14-19)22-15-21(13-18-9-6-7-10-18)23(16-24-22)25(3,4)5;/h8,11,14-18H,6-7,9-10,13H2,1-5H3;/q-1;
InChIKeyMIUDOCLWOUDYND-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.82
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169039046
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169039433
2-(3-benzylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162710050
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(1-phenylethyl)pyridine
CID 166576345
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166574647
4-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611873
[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 166576367
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine
CID 166578726
8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155610713
[4-(cyclopentylmethyl)-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;iridium
CID 156658097
6-[4-(cyclohexylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612679

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 154591950) is [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)c1cc[c-]c(-c2cc(CC3CCCC3)c([Si](C)(C)C)cn2)c1.[Ir].
What is the InChIKey of [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is MIUDOCLWOUDYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32NSi.Ir/c1-17(2)19-11-8-12-20(14-19)22-15-21(13-18-9-6-7-10-18)23(16-24-22)25(3,4)5;/h8,11,14-18H,6-7,9-10,13H2,1-5H3;/q-1;.
What are the key properties of [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 542.82 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 154591950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).