4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C46H46GeIrN2S-2 — CID 166577448

IUPAC4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
SMILESCC(C)(c1ccnc(-c2[c-]cc(-c3ccccc3)c3c2sc2ccccc23)c1)C1CCCC1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C31H28NS.C15H18GeN.Ir/c1-31(2,22-12-6-7-13-22)23-18-19-32-27(20-23)25-17-16-24(21-10-4-3-5-11-21)29-26-14-8-9-15-28(26)33-30(25)29;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-5,8-11,14-16,18-20,22H,6-7,12-13H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1;
InChIKeySVVNUOBMTSYLGE-UHFFFAOYSA-N
MW923.78 g/mol
LogP12.45
Rot. Bonds6

About 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166577448) has the molecular formula C46H46GeIrN2S-2 and a molecular weight of 923.78 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
PubChem CID166577448
Molecular FormulaC46H46GeIrN2S-2
Molecular Weight923.78 g/mol
Exact Mass925.22
IUPAC Name4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
SMILESCC(C)(c1ccnc(-c2[c-]cc(-c3ccccc3)c3c2sc2ccccc23)c1)C1CCCC1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C31H28NS.C15H18GeN.Ir/c1-31(2,22-12-6-7-13-22)23-18-19-32-27(20-23)25-17-16-24(21-10-4-3-5-11-21)29-26-14-8-9-15-28(26)33-30(25)29;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-5,8-11,14-16,18-20,22H,6-7,12-13H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1;
InChIKeySVVNUOBMTSYLGE-UHFFFAOYSA-N
XLogP12.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.78
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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
iridium;3-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578907
iridium;4-phenyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578543
4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576831
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574432
iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane
CID 162708543
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 166576095
4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155610439
2-(1,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-4-(1,1,2,2-tetradeuteriopropyl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 165171354
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166576463
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
iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166575307

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The IUPAC name of 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) is 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is CC(C)(c1ccnc(-c2[c-]cc(-c3ccccc3)c3c2sc2ccccc23)c1)C1CCCC1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The InChIKey is SVVNUOBMTSYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NS.C15H18GeN.Ir/c1-31(2,22-12-6-7-13-22)23-18-19-32-27(20-23)25-17-16-24(21-10-4-3-5-11-21)29-26-14-8-9-15-28(26)33-30(25)29;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-5,8-11,14-16,18-20,22H,6-7,12-13H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1;.
What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 923.78 g/mol, XLogP of 12.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166577448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).