iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C44H36GeIrN2O-2 — CID 166577176

IUPACiridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]cc3oc4c(-c5ccccc5)cccc4c3c2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/C30H20NO.C14H16GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)23-15-16-29-26(18-23)25-14-8-13-24(30(25)32-29)21-9-4-2-5-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-14,16-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyKBKROBISRNPSML-UHFFFAOYSA-N
MW873.61 g/mol
LogP11.18
Rot. Bonds5

About iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166577176) has the molecular formula C44H36GeIrN2O-2 and a molecular weight of 873.61 g/mol. Its IUPAC name is iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID166577176
Molecular FormulaC44H36GeIrN2O-2
Molecular Weight873.61 g/mol
Exact Mass875.17
IUPAC Nameiridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]cc3oc4c(-c5ccccc5)cccc4c3c2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/C30H20NO.C14H16GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)23-15-16-29-26(18-23)25-14-8-13-24(30(25)32-29)21-9-4-2-5-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-14,16-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyKBKROBISRNPSML-UHFFFAOYSA-N
XLogP11.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.61
LogP ≤ 511.18
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

2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
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;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578810
iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576791
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575203
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166577176) is iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]cc3oc4c(-c5ccccc5)cccc4c3c2)ncc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is KBKROBISRNPSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20NO.C14H16GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)23-15-16-29-26(18-23)25-14-8-13-24(30(25)32-29)21-9-4-2-5-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-14,16-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 873.61 g/mol, XLogP of 11.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166577176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).