1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C51H49IrN5OSi-2 — CID 166498822

IUPAC1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2oc3c(-c4nc5c(C)nccc5n4-c4ccccc4-c4ccccc4)[c-]ccc3c2c(C)n1.[Ir]
InChIInChI=1S/C32H23N4O.C19H26NSi.Ir/c1-19-18-28-29(20(2)34-19)24-13-9-14-25(31(24)37-28)32-35-30-21(3)33-17-16-27(30)36(32)26-15-8-7-12-23(26)22-10-5-4-6-11-22;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h4-13,15-18H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyZIZWZBZJZHYPQK-UHFFFAOYSA-N
MW968.29 g/mol
LogP12.45
Rot. Bonds6

About 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166498822) has the molecular formula C51H49IrN5OSi-2 and a molecular weight of 968.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
PubChem CID166498822
Molecular FormulaC51H49IrN5OSi-2
Molecular Weight968.29 g/mol
Exact Mass968.33
IUPAC Name1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2oc3c(-c4nc5c(C)nccc5n4-c4ccccc4-c4ccccc4)[c-]ccc3c2c(C)n1.[Ir]
InChIInChI=1S/C32H23N4O.C19H26NSi.Ir/c1-19-18-28-29(20(2)34-19)24-13-9-14-25(31(24)37-28)32-35-30-21(3)33-17-16-27(30)36(32)26-15-8-7-12-23(26)22-10-5-4-6-11-22;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h4-13,15-18H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyZIZWZBZJZHYPQK-UHFFFAOYSA-N
XLogP12.45
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.29
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-6-[7-methyl-3-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156669326
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166578774
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156669962
1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
CID 163715680
2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657889
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;iridium
CID 156658076
2-(3H-dibenzofuran-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-d]pyridazine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 164824684
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657115
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine
CID 166576755
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 156659955
iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577116
6-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670535

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 166498822) is 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2oc3c(-c4nc5c(C)nccc5n4-c4ccccc4-c4ccccc4)[c-]ccc3c2c(C)n1.[Ir].
What is the InChIKey of 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is ZIZWZBZJZHYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N4O.C19H26NSi.Ir/c1-19-18-28-29(20(2)34-19)24-13-9-14-25(31(24)37-28)32-35-30-21(3)33-17-16-27(30)36(32)26-15-8-7-12-23(26)22-10-5-4-6-11-22;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h4-13,15-18H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.
What are the key properties of 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 968.29 g/mol, XLogP of 12.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166498822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).