4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C40H36GeIrN2O-2 — CID 166575644

IUPAC4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]c3oc4cc(-c5ccccc5)ccc4c3cc2)c1.[Ir]
InChIInChI=1S/C26H20NO.C14H16GeN.Ir/c1-17(2)19-12-13-27-24(14-19)21-9-11-23-22-10-8-20(18-6-4-3-5-7-18)15-25(22)28-26(23)16-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-15,17H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i17D;;
InChIKeyIWOMQGXJYTWWTP-SMYCVDIJSA-N
MW826.57 g/mol
LogP10.33
Rot. Bonds5

About 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166575644) has the molecular formula C40H36GeIrN2O-2 and a molecular weight of 826.57 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID166575644
Molecular FormulaC40H36GeIrN2O-2
Molecular Weight826.57 g/mol
Exact Mass828.17
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]c3oc4cc(-c5ccccc5)ccc4c3cc2)c1.[Ir]
InChIInChI=1S/C26H20NO.C14H16GeN.Ir/c1-17(2)19-12-13-27-24(14-19)21-9-11-23-22-10-8-20(18-6-4-3-5-7-18)15-25(22)28-26(23)16-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-15,17H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i17D;;
InChIKeyIWOMQGXJYTWWTP-SMYCVDIJSA-N
XLogP10.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.57
LogP ≤ 510.33
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

iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574420
iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576791
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578469
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575711
iridium;2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573461
4-(2-deuteriopropan-2-yl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578701
iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578157
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578041
CID 171748043
CID 171748043
CID 169291860
CID 169291860
4-(2-deuteriopropan-2-yl)-2-[7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166575328
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166573960

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166575644) is 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]c3oc4cc(-c5ccccc5)ccc4c3cc2)c1.[Ir].
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is IWOMQGXJYTWWTP-SMYCVDIJSA-N. The full InChI is InChI=1S/C26H20NO.C14H16GeN.Ir/c1-17(2)19-12-13-27-24(14-19)21-9-11-23-22-10-8-20(18-6-4-3-5-7-18)15-25(22)28-26(23)16-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-15,17H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i17D;;.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 826.57 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166575644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).