4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C43H40IrN2OSi-2 — CID 166578580

IUPAC4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(C3CCCCC3)ccn2)ccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C29H24NO.C14H16NSi.Ir/c1-3-8-20(9-4-1)22-16-17-30-27(18-22)23-14-15-25-26-13-7-12-24(21-10-5-2-6-11-21)29(26)31-28(25)19-23;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2,5-7,10-18,20H,1,3-4,8-9H2;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyPXDRYKOLPDMFGR-UHFFFAOYSA-N
MW821.11 g/mol
LogP11.25
Rot. Bonds5

About 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 166578580) has the molecular formula C43H40IrN2OSi-2 and a molecular weight of 821.11 g/mol. Its IUPAC name is 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID166578580
Molecular FormulaC43H40IrN2OSi-2
Molecular Weight821.11 g/mol
Exact Mass821.26
IUPAC Name4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(C3CCCCC3)ccn2)ccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C29H24NO.C14H16NSi.Ir/c1-3-8-20(9-4-1)22-16-17-30-27(18-22)23-14-15-25-26-13-7-12-24(21-10-5-2-6-11-21)29(26)31-28(25)19-23;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2,5-7,10-18,20H,1,3-4,8-9H2;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyPXDRYKOLPDMFGR-UHFFFAOYSA-N
XLogP11.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.11
LogP ≤ 511.25
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-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166574578
4-cyclohexyl-2-[6-(4-phenylphenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;[4-(1-deuteriocyclohexyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166575749
4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166573540
2-[9-(4-fluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577103
4-[cyclopentyl(dideuterio)methyl]-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577689
3-(7-fluoro-9-phenyl-4H-dibenzofuran-4-id-3-yl)isoquinoline;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577185
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 162776785
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608738
4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane
CID 155608387
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575526

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 166578580) is 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(C3CCCCC3)ccn2)ccc2c1oc1c(-c3ccccc3)cccc12.
What is the InChIKey of 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is PXDRYKOLPDMFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NO.C14H16NSi.Ir/c1-3-8-20(9-4-1)22-16-17-30-27(18-22)23-14-15-25-26-13-7-12-24(21-10-5-2-6-11-21)29(26)31-28(25)19-23;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2,5-7,10-18,20H,1,3-4,8-9H2;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 821.11 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166578580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).