4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C48H50IrN2SSi-2 — CID 166576831

IUPAC4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1cc(-c2ccccc2)c2c(sc3ccccc32)c1-c1cc(C2CCCCC2)ccn1
InChIInChI=1S/C29H24NS.C19H26NSi.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2,5-8,11-15,17-20H,1,3-4,9-10H2;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyCMDGVWQORMYOHV-UHFFFAOYSA-N
MW907.31 g/mol
LogP13.31
Rot. Bonds6

About 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166576831) has the molecular formula C48H50IrN2SSi-2 and a molecular weight of 907.31 g/mol. Its IUPAC name is 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
PubChem CID166576831
Molecular FormulaC48H50IrN2SSi-2
Molecular Weight907.31 g/mol
Exact Mass907.31
IUPAC Name4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1cc(-c2ccccc2)c2c(sc3ccccc32)c1-c1cc(C2CCCCC2)ccn1
InChIInChI=1S/C29H24NS.C19H26NSi.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2,5-8,11-15,17-20H,1,3-4,9-10H2;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyCMDGVWQORMYOHV-UHFFFAOYSA-N
XLogP13.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.31
LogP ≤ 513.31
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-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575437
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 166576095
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
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608774
4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166577448
4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166573947
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576201
4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 169039237
4-tert-butyl-2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166577734
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 166574359
2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 164711663
[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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 166576831) is 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1cc(-c2ccccc2)c2c(sc3ccccc32)c1-c1cc(C2CCCCC2)ccn1.
What is the InChIKey of 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is CMDGVWQORMYOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NS.C19H26NSi.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2,5-8,11-15,17-20H,1,3-4,9-10H2;7-10,12,14H,13H2,1-6H3;/q2*-1;.
What are the key properties of 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 907.31 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166576831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).