3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane

C58H54GeIrN4O-2 — CID 176644378

IUPAC3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane
SMILESCC(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(c1)oc1[c-]c(-c3nc4cc(C)ncc4n3-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c12.[Ir]
InChIInChI=1S/C36H30N3O.C22H24GeN.Ir/c1-22-11-16-28-32(17-22)40-33-20-25(19-29(34(28)33)24-9-7-6-8-10-24)35-38-30-18-23(2)37-21-31(30)39(35)27-14-12-26(13-15-27)36(3,4)5;1-17(18-11-7-5-8-12-18)20-15-22(19-13-9-6-10-14-19)24-16-21(20)23(2,3)4;/h6-19,21H,1-5H3;5-13,15-17H,1-4H3;/q2*-1;
InChIKeyVCIVVNWYSNOSNZ-UHFFFAOYSA-N
MW1087.92 g/mol
LogP14.61
Rot. Bonds7

About 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane

3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane (PubChem CID 176644378) has the molecular formula C58H54GeIrN4O-2 and a molecular weight of 1087.92 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane
PubChem CID176644378
Molecular FormulaC58H54GeIrN4O-2
Molecular Weight1087.92 g/mol
Exact Mass1089.31
IUPAC Name3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane
SMILESCC(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(c1)oc1[c-]c(-c3nc4cc(C)ncc4n3-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c12.[Ir]
InChIInChI=1S/C36H30N3O.C22H24GeN.Ir/c1-22-11-16-28-32(17-22)40-33-20-25(19-29(34(28)33)24-9-7-6-8-10-24)35-38-30-18-23(2)37-21-31(30)39(35)27-14-12-26(13-15-27)36(3,4)5;1-17(18-11-7-5-8-12-18)20-15-22(19-13-9-6-10-14-19)24-16-21(20)23(2,3)4;/h6-19,21H,1-5H3;5-13,15-17H,1-4H3;/q2*-1;
InChIKeyVCIVVNWYSNOSNZ-UHFFFAOYSA-N
XLogP14.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.92
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)-6-methyl-2-(1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156670851
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156657870
(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;iridium;3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide
CID 156671275
iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane
CID 156667886
3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658147
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 156657174
2-(3H-dibenzofuran-3-id-4-yl)-6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 164825067
1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156656981
4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156671229
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)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium
CID 156659447
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium
CID 156670523

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane?
The IUPAC name of 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane (CID 176644378) is 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane.
What is the SMILES notation for 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane?
The canonical SMILES for 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane is CC(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(c1)oc1[c-]c(-c3nc4cc(C)ncc4n3-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c12.[Ir].
What is the InChIKey of 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane?
The InChIKey is VCIVVNWYSNOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N3O.C22H24GeN.Ir/c1-22-11-16-28-32(17-22)40-33-20-25(19-29(34(28)33)24-9-7-6-8-10-24)35-38-30-18-23(2)37-21-31(30)39(35)27-14-12-26(13-15-27)36(3,4)5;1-17(18-11-7-5-8-12-18)20-15-22(19-13-9-6-10-14-19)24-16-21(20)23(2,3)4;/h6-19,21H,1-5H3;5-13,15-17H,1-4H3;/q2*-1;.
What are the key properties of 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane?
3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane has a molecular weight of 1087.92 g/mol, XLogP of 14.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-6-methyl-2-(7-methyl-1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]germane is sourced from PubChem (CID 176644378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).