4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C37H35FGeIrN2S-2 — CID 164712443

IUPAC4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2sc3c[c-]c(-c4cc(CC5CCCC5)ccn4)cc3c12.[Ir]
InChIInChI=1S/C23H19FNS.C14H16GeN.Ir/c24-19-6-3-7-22-23(19)18-14-17(8-9-21(18)26-22)20-13-16(10-11-25-20)12-15-4-1-2-5-15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3,6-7,9-11,13-15H,1-2,4-5,12H2;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyCYQIGYLIIPOYCB-UHFFFAOYSA-N
MW823.59 g/mol
LogP9.88
Rot. Bonds5

About 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 164712443) has the molecular formula C37H35FGeIrN2S-2 and a molecular weight of 823.59 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID164712443
Molecular FormulaC37H35FGeIrN2S-2
Molecular Weight823.59 g/mol
Exact Mass825.14
IUPAC Name4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2sc3c[c-]c(-c4cc(CC5CCCC5)ccn4)cc3c12.[Ir]
InChIInChI=1S/C23H19FNS.C14H16GeN.Ir/c24-19-6-3-7-22-23(19)18-14-17(8-9-21(18)26-22)20-13-16(10-11-25-20)12-15-4-1-2-5-15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3,6-7,9-11,13-15H,1-2,4-5,12H2;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyCYQIGYLIIPOYCB-UHFFFAOYSA-N
XLogP9.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.59
LogP ≤ 59.88
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-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 169038565
4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712310
4-tert-butyl-2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577225
4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164711903
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577959
4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164712602
4-benzyl-2-(7-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162709802
CID 168766274
CID 168766274
4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712406
iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574198
iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574587
4-(cyclopentylmethyl)-2-(9-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577101

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 164712443) is 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2sc3c[c-]c(-c4cc(CC5CCCC5)ccn4)cc3c12.[Ir].
What is the InChIKey of 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is CYQIGYLIIPOYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FNS.C14H16GeN.Ir/c24-19-6-3-7-22-23(19)18-14-17(8-9-21(18)26-22)20-13-16(10-11-25-20)12-15-4-1-2-5-15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3,6-7,9-11,13-15H,1-2,4-5,12H2;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 823.59 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-(9-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 164712443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).