[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium

C51H54IrN2OSi-2 — CID 169039003

IUPAC[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESCC(C)c1cc(-c2[c-]ccc(C3CCCC3)c2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(CC2CCCC2)ccn1
InChIInChI=1S/C29H24NO.C22H30NSi.Ir/c1-2-9-22(10-3-1)23-13-14-24-25-11-6-12-26(29(25)31-28(24)19-23)27-18-21(15-16-30-27)17-20-7-4-5-8-20;1-16(2)20-14-21(23-15-22(20)24(3,4)5)19-12-8-11-18(13-19)17-9-6-7-10-17;/h1-3,6,9-11,13-16,18-20H,4-5,7-8,17H2;8,11,13-17H,6-7,9-10H2,1-5H3;/q2*-1;
InChIKeyLSWALPNIUQTYDU-UHFFFAOYSA-N
MW931.31 g/mol
LogP13.72
Rot. Bonds8

About [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium

[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium (PubChem CID 169039003) has the molecular formula C51H54IrN2OSi-2 and a molecular weight of 931.31 g/mol. Its IUPAC name is [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium.

Molecular Properties

Compound Name[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
PubChem CID169039003
Molecular FormulaC51H54IrN2OSi-2
Molecular Weight931.31 g/mol
Exact Mass931.36
IUPAC Name[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESCC(C)c1cc(-c2[c-]ccc(C3CCCC3)c2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(CC2CCCC2)ccn1
InChIInChI=1S/C29H24NO.C22H30NSi.Ir/c1-2-9-22(10-3-1)23-13-14-24-25-11-6-12-26(29(25)31-28(24)19-23)27-18-21(15-16-30-27)17-20-7-4-5-8-20;1-16(2)20-14-21(23-15-22(20)24(3,4)5)19-12-8-11-18(13-19)17-9-6-7-10-17;/h1-3,6,9-11,13-16,18-20H,4-5,7-8,17H2;8,11,13-17H,6-7,9-10H2,1-5H3;/q2*-1;
InChIKeyLSWALPNIUQTYDU-UHFFFAOYSA-N
XLogP13.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.31
LogP ≤ 513.72
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

4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577921
4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(dideuteriomethyl)-3-phenylbenzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 171436033
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576585
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 166575401
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166578567
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166574555
4-(1-deuteriocyclohexyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576326
4-(2-bicyclo[2.2.2]octanylmethyl)-2-[7-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166573476
[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-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166573573
[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 166575629

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The IUPAC name of [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium (CID 169039003) is [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium.
What is the SMILES notation for [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The canonical SMILES for [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium is CC(C)c1cc(-c2[c-]ccc(C3CCCC3)c2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(CC2CCCC2)ccn1.
What is the InChIKey of [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The InChIKey is LSWALPNIUQTYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NO.C22H30NSi.Ir/c1-2-9-22(10-3-1)23-13-14-24-25-11-6-12-26(29(25)31-28(24)19-23)27-18-21(15-16-30-27)17-20-7-4-5-8-20;1-16(2)20-14-21(23-15-22(20)24(3,4)5)19-12-8-11-18(13-19)17-9-6-7-10-17;/h1-3,6,9-11,13-16,18-20H,4-5,7-8,17H2;8,11,13-17H,6-7,9-10H2,1-5H3;/q2*-1;.
What are the key properties of [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium has a molecular weight of 931.31 g/mol, XLogP of 13.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium is sourced from PubChem (CID 169039003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).