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

C51H49GeIrN5O-2 — CID 156669326

IUPAC1,3-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
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc2oc3c(-c4nc5c(C)cncc5n4-c4ccccc4-c4ccccc4)[c-]ccc3c2c(C)n1.[Ir]
InChIInChI=1S/C32H23N4O.C19H26GeN.Ir/c1-19-17-33-18-27-30(19)35-32(36(27)26-15-8-7-12-23(26)22-10-5-4-6-11-22)25-14-9-13-24-29-21(3)34-20(2)16-28(29)37-31(24)25;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h4-13,15-18H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyBASPDUBCHHVHHX-UHFFFAOYSA-N
MW1012.81 g/mol
LogP12.45
Rot. Bonds6

About 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

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 (PubChem CID 156669326) has the molecular formula C51H49GeIrN5O-2 and a molecular weight of 1012.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID156669326
Molecular FormulaC51H49GeIrN5O-2
Molecular Weight1012.81 g/mol
Exact Mass1014.28
IUPAC Name1,3-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
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc2oc3c(-c4nc5c(C)cncc5n4-c4ccccc4-c4ccccc4)[c-]ccc3c2c(C)n1.[Ir]
InChIInChI=1S/C32H23N4O.C19H26GeN.Ir/c1-19-17-33-18-27-30(19)35-32(36(27)26-15-8-7-12-23(26)22-10-5-4-6-11-22)25-14-9-13-24-29-21(3)34-20(2)16-28(29)37-31(24)25;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h4-13,15-18H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyBASPDUBCHHVHHX-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 ≤ 5001012.81
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 162776775
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156668951
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 166499117
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-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156660056
iridium;8-[1-(2-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670876
[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156669150
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
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658017
2-tert-butyl-5-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670478
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc2oc3c(-c4nc5c(C)cncc5n4-c4ccccc4-c4ccccc4)[c-]ccc3c2c(C)n1.[Ir].
What is the InChIKey of 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?
The InChIKey is BASPDUBCHHVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N4O.C19H26GeN.Ir/c1-19-17-33-18-27-30(19)35-32(36(27)26-15-8-7-12-23(26)22-10-5-4-6-11-22)25-14-9-13-24-29-21(3)34-20(2)16-28(29)37-31(24)25;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(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-[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?
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 has a molecular weight of 1012.81 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-[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 is sourced from PubChem (CID 156669326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).