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

C55H54GeIrN4O-2 — CID 156670851

IUPAC3-(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
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1cc2nc(-c3[c-]c4oc5ccccc5c4c(-c4ccccc4)c3)n(-c3ccc(C(C)(C)C)cc3)c2cn1.[Ir]
InChIInChI=1S/C35H28N3O.C20H26GeN.Ir/c1-22-18-29-30(21-36-22)38(26-16-14-25(15-17-26)35(2,3)4)34(37-29)24-19-28(23-10-6-5-7-11-23)33-27-12-8-9-13-31(27)39-32(33)20-24;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h5-19,21H,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyURWWAYUICPFCBZ-UHFFFAOYSA-N
MW1051.89 g/mol
LogP13.88
Rot. Bonds7

About 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

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 (PubChem CID 156670851) has the molecular formula C55H54GeIrN4O-2 and a molecular weight of 1051.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID156670851
Molecular FormulaC55H54GeIrN4O-2
Molecular Weight1051.89 g/mol
Exact Mass1053.31
IUPAC Name3-(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
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1cc2nc(-c3[c-]c4oc5ccccc5c4c(-c4ccccc4)c3)n(-c3ccc(C(C)(C)C)cc3)c2cn1.[Ir]
InChIInChI=1S/C35H28N3O.C20H26GeN.Ir/c1-22-18-29-30(21-36-22)38(26-16-14-25(15-17-26)35(2,3)4)34(37-29)24-19-28(23-10-6-5-7-11-23)33-27-12-8-9-13-31(27)39-32(33)20-24;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h5-19,21H,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyURWWAYUICPFCBZ-UHFFFAOYSA-N
XLogP13.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.89
LogP ≤ 513.88
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-(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
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156667594
1-(4-tert-butylphenyl)-2-(4H-dibenzothiophen-4-id-3-yl)benzimidazole;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657533
(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
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 156657174
4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155610922
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-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156657870
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658131
3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 176644236
1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156660774
2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667958

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1cc2nc(-c3[c-]c4oc5ccccc5c4c(-c4ccccc4)c3)n(-c3ccc(C(C)(C)C)cc3)c2cn1.[Ir].
What is the InChIKey of 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?
The InChIKey is URWWAYUICPFCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N3O.C20H26GeN.Ir/c1-22-18-29-30(21-36-22)38(26-16-14-25(15-17-26)35(2,3)4)34(37-29)24-19-28(23-10-6-5-7-11-23)33-27-12-8-9-13-31(27)39-32(33)20-24;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h5-19,21H,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1051.89 g/mol, XLogP of 13.88, 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-(1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156670851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).