8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

C261H271Ir5N19O5Si5-10 — CID 161077674

IUPAC8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
SMILESCC(C)C(C)c1ccnc(-c2[c-]ccc3c2oc2nc(-c4c(-c5ccccc5)cccc4-c4ccccc4)ccc23)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2ccc3c(n2)oc2c(-c4cc(CC(C)(C)C)ccn4)[c-]ccc23)c(C)n1.Cc1nc(C)c(-c2ccc3c(n2)oc2c(-c4cc(C(C)C5CCCCC5)ccn4)[c-]ccc23)c(C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3nc(-c4ccc(-c5ccccc5)nc4-c4ccccc4)ccc32)c1-c1cc(CC2CCCC2)ccn1.[c-]1ccc2c(oc3nc(-c4cccc5c4CCCC5)ccc32)c1-c1cc(CC2CCCCC2)ccn1
InChIInChI=1S/C39H30N3O.C39H31N2O.C33H31N2O.C31H31N4O.C29H28N3O.5C18H24NSi.5Ir/c1-3-12-28(13-4-1)34-20-19-32(37(41-34)29-14-5-2-6-15-29)35-21-18-31-30-16-9-17-33(38(30)43-39(31)42-35)36-25-27(22-23-40-36)24-26-10-7-8-11-26;1-25(2)26(3)29-22-23-40-36(24-29)34-19-11-18-32-33-20-21-35(41-39(33)42-38(32)34)37-30(27-12-6-4-7-13-27)16-10-17-31(37)28-14-8-5-9-15-28;1-2-8-22(9-3-1)20-23-18-19-34-31(21-23)29-15-7-14-27-28-16-17-30(35-33(28)36-32(27)29)26-13-6-11-24-10-4-5-12-25(24)26;1-18(22-9-6-5-7-10-22)23-15-16-32-28(17-23)26-12-8-11-24-25-13-14-27(35-31(25)36-30(24)26)29-19(2)33-21(4)34-20(29)3;1-17-14-18(2)31-19(3)26(17)24-11-10-22-21-8-7-9-23(27(21)33-28(22)32-24)25-15-20(12-13-30-25)16-29(4,5)6;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h1-6,9,12-16,18-23,25-26H,7-8,10-11,24H2;4-18,20-26H,1-3H3;6-7,11,13-14,16-19,21-22H,1-5,8-10,12,20H2;8,11,13-18,22H,5-7,9-10H2,1-4H3;7-8,10-15H,16H2,1-6H3;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;
InChIKeyOENAKTDMHLVXIL-UHFFFAOYSA-N
MW4855.68 g/mol
LogP65.87
Rot. Bonds43

About 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (PubChem CID 161077674) has the molecular formula C261H271Ir5N19O5Si5-10 and a molecular weight of 4855.68 g/mol. Its IUPAC name is 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).

Molecular Properties

Compound Name8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
PubChem CID161077674
Molecular FormulaC261H271Ir5N19O5Si5-10
Molecular Weight4855.68 g/mol
Exact Mass4855.86
IUPAC Name8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
SMILESCC(C)C(C)c1ccnc(-c2[c-]ccc3c2oc2nc(-c4c(-c5ccccc5)cccc4-c4ccccc4)ccc23)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2ccc3c(n2)oc2c(-c4cc(CC(C)(C)C)ccn4)[c-]ccc23)c(C)n1.Cc1nc(C)c(-c2ccc3c(n2)oc2c(-c4cc(C(C)C5CCCCC5)ccn4)[c-]ccc23)c(C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3nc(-c4ccc(-c5ccccc5)nc4-c4ccccc4)ccc32)c1-c1cc(CC2CCCC2)ccn1.[c-]1ccc2c(oc3nc(-c4cccc5c4CCCC5)ccc32)c1-c1cc(CC2CCCCC2)ccn1
InChIInChI=1S/C39H30N3O.C39H31N2O.C33H31N2O.C31H31N4O.C29H28N3O.5C18H24NSi.5Ir/c1-3-12-28(13-4-1)34-20-19-32(37(41-34)29-14-5-2-6-15-29)35-21-18-31-30-16-9-17-33(38(30)43-39(31)42-35)36-25-27(22-23-40-36)24-26-10-7-8-11-26;1-25(2)26(3)29-22-23-40-36(24-29)34-19-11-18-32-33-20-21-35(41-39(33)42-38(32)34)37-30(27-12-6-4-7-13-27)16-10-17-31(37)28-14-8-5-9-15-28;1-2-8-22(9-3-1)20-23-18-19-34-31(21-23)29-15-7-14-27-28-16-17-30(35-33(28)36-32(27)29)26-13-6-11-24-10-4-5-12-25(24)26;1-18(22-9-6-5-7-10-22)23-15-16-32-28(17-23)26-12-8-11-24-25-13-14-27(35-31(25)36-30(24)26)29-19(2)33-21(4)34-20(29)3;1-17-14-18(2)31-19(3)26(17)24-11-10-22-21-8-7-9-23(27(21)33-28(22)32-24)25-15-20(12-13-30-25)16-29(4,5)6;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h1-6,9,12-16,18-23,25-26H,7-8,10-11,24H2;4-18,20-26H,1-3H3;6-7,11,13-14,16-19,21-22H,1-5,8-10,12,20H2;8,11,13-18,22H,5-7,9-10H2,1-4H3;7-8,10-15H,16H2,1-6H3;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;
InChIKeyOENAKTDMHLVXIL-UHFFFAOYSA-N
XLogP65.87
TPSA310.61 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004855.68
LogP ≤ 565.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-dibenzofuran-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611194
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166573573
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluoro-3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 155612031
2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155612745
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611465
8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
CID 159780750
5-tert-butyl-8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 167332662
8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,6-dimethyl-4-pyridinyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155611241
6-[4-(cyclohexylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612679
8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162776962
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155612517
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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
The IUPAC name of 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (CID 161077674) is 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).
What is the SMILES notation for 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
The canonical SMILES for 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is CC(C)C(C)c1ccnc(-c2[c-]ccc3c2oc2nc(-c4c(-c5ccccc5)cccc4-c4ccccc4)ccc23)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2ccc3c(n2)oc2c(-c4cc(CC(C)(C)C)ccn4)[c-]ccc23)c(C)n1.Cc1nc(C)c(-c2ccc3c(n2)oc2c(-c4cc(C(C)C5CCCCC5)ccn4)[c-]ccc23)c(C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3nc(-c4ccc(-c5ccccc5)nc4-c4ccccc4)ccc32)c1-c1cc(CC2CCCC2)ccn1.[c-]1ccc2c(oc3nc(-c4cccc5c4CCCC5)ccc32)c1-c1cc(CC2CCCCC2)ccn1.
What is the InChIKey of 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
The InChIKey is OENAKTDMHLVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N3O.C39H31N2O.C33H31N2O.C31H31N4O.C29H28N3O.5C18H24NSi.5Ir/c1-3-12-28(13-4-1)34-20-19-32(37(41-34)29-14-5-2-6-15-29)35-21-18-31-30-16-9-17-33(38(30)43-39(31)42-35)36-25-27(22-23-40-36)24-26-10-7-8-11-26;1-25(2)26(3)29-22-23-40-36(24-29)34-19-11-18-32-33-20-21-35(41-39(33)42-38(32)34)37-30(27-12-6-4-7-13-27)16-10-17-31(37)28-14-8-5-9-15-28;1-2-8-22(9-3-1)20-23-18-19-34-31(21-23)29-15-7-14-27-28-16-17-30(35-33(28)36-32(27)29)26-13-6-11-24-10-4-5-12-25(24)26;1-18(22-9-6-5-7-10-22)23-15-16-32-28(17-23)26-12-8-11-24-25-13-14-27(35-31(25)36-30(24)26)29-19(2)33-21(4)34-20(29)3;1-17-14-18(2)31-19(3)26(17)24-11-10-22-21-8-7-9-23(27(21)33-28(22)32-24)25-15-20(12-13-30-25)16-29(4,5)6;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h1-6,9,12-16,18-23,25-26H,7-8,10-11,24H2;4-18,20-26H,1-3H3;6-7,11,13-14,16-19,21-22H,1-5,8-10,12,20H2;8,11,13-18,22H,5-7,9-10H2,1-4H3;7-8,10-15H,16H2,1-6H3;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;.
What are the key properties of 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) has a molecular weight of 4855.68 g/mol, XLogP of 65.87, 43 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-(2,4,6-trimethylpyrimidin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-(2,6-diphenyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-(2,4,6-trimethyl-3-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,6-diphenylphenyl)-8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is sourced from PubChem (CID 161077674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).