4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C50H47FGeIrN2O-2 — CID 169039192

IUPAC4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)c1cc(-c2ccccc2)cc2c1oc1cc(-c3cc(C(C)(C)C)ccn3)[c-]cc12.C[Ge](C)(C)c1cnc(-c2[c-]cc(-c3ccccc3)cc2)c(F)c1.[Ir]
InChIInChI=1S/C30H28NO.C20H19FGeN.Ir/c1-19(2)25-15-22(20-9-7-6-8-10-20)16-26-24-12-11-21(17-28(24)32-29(25)26)27-18-23(13-14-31-27)30(3,4)5;1-22(2,3)18-13-19(21)20(23-14-18)17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h6-10,12-19H,1-5H3;4-11,13-14H,1-3H3;/q2*-1;
InChIKeyMEUCFVKCUGOERJ-UHFFFAOYSA-N
MW975.76 g/mol
LogP13.43
Rot. Bonds6

About 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 169039192) has the molecular formula C50H47FGeIrN2O-2 and a molecular weight of 975.76 g/mol. Its IUPAC name is 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID169039192
Molecular FormulaC50H47FGeIrN2O-2
Molecular Weight975.76 g/mol
Exact Mass977.25
IUPAC Name4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)c1cc(-c2ccccc2)cc2c1oc1cc(-c3cc(C(C)(C)C)ccn3)[c-]cc12.C[Ge](C)(C)c1cnc(-c2[c-]cc(-c3ccccc3)cc2)c(F)c1.[Ir]
InChIInChI=1S/C30H28NO.C20H19FGeN.Ir/c1-19(2)25-15-22(20-9-7-6-8-10-20)16-26-24-12-11-21(17-28(24)32-29(25)26)27-18-23(13-14-31-27)30(3,4)5;1-22(2,3)18-13-19(21)20(23-14-18)17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h6-10,12-19H,1-5H3;4-11,13-14H,1-3H3;/q2*-1;
InChIKeyMEUCFVKCUGOERJ-UHFFFAOYSA-N
XLogP13.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.76
LogP ≤ 513.43
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-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578157
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;2-[7-(4-tert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 176583706
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;trimethyl-[4-[4-[2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]silane
CID 170537702
1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 170537733
4-(2,2-dimethylpropyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574783
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 170537727
CID 177303184
CID 177303184
[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170537757
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;8-[1-[2,4-di(propan-2-yl)-7-(4-trimethylgermylphenyl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium
CID 169322460
4-tert-butyl-2-[7-(2,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166574144
CID 171461750
CID 171461750
4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane
CID 166577428

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 169039192) is 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)c1cc(-c2ccccc2)cc2c1oc1cc(-c3cc(C(C)(C)C)ccn3)[c-]cc12.C[Ge](C)(C)c1cnc(-c2[c-]cc(-c3ccccc3)cc2)c(F)c1.[Ir].
What is the InChIKey of 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is MEUCFVKCUGOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28NO.C20H19FGeN.Ir/c1-19(2)25-15-22(20-9-7-6-8-10-20)16-26-24-12-11-21(17-28(24)32-29(25)26)27-18-23(13-14-31-27)30(3,4)5;1-22(2,3)18-13-19(21)20(23-14-18)17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h6-10,12-19H,1-5H3;4-11,13-14H,1-3H3;/q2*-1;.
What are the key properties of 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 975.76 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)pyridine;[5-fluoro-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 169039192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).