8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane

C59H53GeIrN5O-2 — CID 166499372

IUPAC8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Ge](C)(C)C.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(-c6c(C)cccc6C)ccc45)n(Cc4ccccc4)c3c2n1.[Ir]
InChIInChI=1S/C37H27N4O.C22H26GeN.Ir/c1-22-9-7-10-23(2)32(22)30-20-18-28-27-13-8-14-29(35(27)42-37(28)40-30)36-39-31-19-17-26-16-15-24(3)38-33(26)34(31)41(36)21-25-11-5-4-6-12-25;1-16(2)12-20-14-22(24-15-21(20)23(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;/h4-13,15-20H,21H2,1-3H3;6-10,13-16H,12H2,1-5H3;/q2*-1;
InChIKeyVOOIRGXMTPKOCH-UHFFFAOYSA-N
MW1112.93 g/mol
LogP14.43
Rot. Bonds8

About 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane

8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane (PubChem CID 166499372) has the molecular formula C59H53GeIrN5O-2 and a molecular weight of 1112.93 g/mol. Its IUPAC name is 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
PubChem CID166499372
Molecular FormulaC59H53GeIrN5O-2
Molecular Weight1112.93 g/mol
Exact Mass1114.31
IUPAC Name8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Ge](C)(C)C.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(-c6c(C)cccc6C)ccc45)n(Cc4ccccc4)c3c2n1.[Ir]
InChIInChI=1S/C37H27N4O.C22H26GeN.Ir/c1-22-9-7-10-23(2)32(22)30-20-18-28-27-13-8-14-29(35(27)42-37(28)40-30)36-39-31-19-17-26-16-15-24(3)38-33(26)34(31)41(36)21-25-11-5-4-6-12-25;1-16(2)12-20-14-22(24-15-21(20)23(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;/h4-13,15-20H,21H2,1-3H3;6-10,13-16H,12H2,1-5H3;/q2*-1;
InChIKeyVOOIRGXMTPKOCH-UHFFFAOYSA-N
XLogP14.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.93
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156669840
2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668507
iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane
CID 170532049
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156670750
2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670219
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(4-tert-butyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611052
8-[1-(2,6-dimethyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 156669426
2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155612600
2-(2,6-dimethylphenyl)-8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;5-methyl-2-phenylpyridine
CID 168827885
8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
CID 156671116
2-(2,6-dimethylphenyl)-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610932
bis(iridium);bis(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-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
CID 158534436

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?
The IUPAC name of 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane (CID 166499372) is 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane.
What is the SMILES notation for 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?
The canonical SMILES for 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Ge](C)(C)C.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(-c6c(C)cccc6C)ccc45)n(Cc4ccccc4)c3c2n1.[Ir].
What is the InChIKey of 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?
The InChIKey is VOOIRGXMTPKOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N4O.C22H26GeN.Ir/c1-22-9-7-10-23(2)32(22)30-20-18-28-27-13-8-14-29(35(27)42-37(28)40-30)36-39-31-19-17-26-16-15-24(3)38-33(26)34(31)41(36)21-25-11-5-4-6-12-25;1-16(2)12-20-14-22(24-15-21(20)23(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;/h4-13,15-20H,21H2,1-3H3;6-10,13-16H,12H2,1-5H3;/q2*-1;.
What are the key properties of 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?
8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane has a molecular weight of 1112.93 g/mol, XLogP of 14.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzyl-8-methylimidazo[4,5-h]quinolin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166499372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).