2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)

C368H388Ir10N18O6S2-18 — CID 157304191

IUPAC2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)
SMILESC.C.C.C.C.C.C.C.C.C.CC1(C)c2c(-c3ccccn3)[c-]ccc2-c2cccc(C34CCC(CC3)CC4)c21.CC1(C)c2ccccc2-c2cc[c-]c(-c3cc(C45CCC(CC4)CC5)ccn3)c21.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc(C34CCC(CC3)CC4)c3ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C45CCC(CC4)CC5)cccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3c(C45CCC(CC4)CC5)cccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccc2c(sc3c(C45CCC(CC4)CC5)cccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccccc1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccccc1-c1ccc(C23CCC(CC2)CC3)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C28H28N.2C25H22NO.2C25H22NS.2C25H26N.2C19H20N.2C13H24O2.8C11H8N.10CH4.10Ir/c1-27(2)25-20(7-5-9-22(25)24-11-3-4-18-29-24)21-8-6-10-23(26(21)27)28-15-12-19(13-16-28)14-17-28;1-27(2)24-9-4-3-6-21(24)22-7-5-8-23(26(22)27)25-18-20(13-17-29-25)28-14-10-19(11-15-28)12-16-28;1-2-16-26-22(9-1)20-7-3-5-18-19-6-4-8-21(24(19)27-23(18)20)25-13-10-17(11-14-25)12-15-25;1-2-7-23-19(4-1)20-5-3-6-21(24(20)27-23)22-16-18(11-15-26-22)25-12-8-17(9-13-25)10-14-25;1-2-16-26-22(9-1)20-7-3-5-18-19-6-4-8-21(24(19)27-23(18)20)25-13-10-17(11-14-25)12-15-25;1-2-7-23-19(4-1)20-5-3-6-21(24(20)27-23)22-16-18(11-15-26-22)25-12-8-17(9-13-25)10-14-25;1-17-14-18(2)16-20(15-17)24-22-4-3-5-23(21(22)9-13-26-24)25-10-6-19(7-11-25)8-12-25;1-17-13-18(2)15-20(14-17)24-22-6-4-3-5-21(22)23(16-26-24)25-10-7-19(8-11-25)9-12-25;1-2-4-16(5-3-1)18-14-17(9-13-20-18)19-10-6-15(7-11-19)8-12-19;1-2-4-16(5-3-1)18-7-6-17(14-20-18)19-11-8-15(9-12-19)10-13-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;8*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;;;;;;;;;;;/h3-8,10-11,18-19H,12-17H2,1-2H3;3-7,9,13,17-19H,10-12,14-16H2,1-2H3;1-6,8-9,16-17H,10-15H2;1-5,7,11,15-17H,8-10,12-14H2;1-6,8-9,16-17H,10-15H2;1-5,7,11,15-17H,8-10,12-14H2;3-5,9,13-15,19H,6-8,10-12H2,1-2H3;3-6,13-14,16,19H,7-12H2,1-2H3;1-4,9,13-15H,6-8,10-12H2;1-4,6-7,14-15H,8-13H2;2*9-11,14H,5-8H2,1-4H3;8*1-6,8-9H;10*1H4;;;;;;;;;;/q10*-1;;;8*-1;;;;;;;;;;;;;;;;;;;;
InChIKeyUCHXCYIZCBEHSJ-UHFFFAOYSA-N
MW7145.58 g/mol
LogP98.86
Rot. Bonds42

About 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)

2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine) (PubChem CID 157304191) has the molecular formula C368H388Ir10N18O6S2-18 and a molecular weight of 7145.58 g/mol. Its IUPAC name is 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine).

Molecular Properties

Compound Name2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)
PubChem CID157304191
Molecular FormulaC368H388Ir10N18O6S2-18
Molecular Weight7145.58 g/mol
Exact Mass7148.64
IUPAC Name2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)
SMILESC.C.C.C.C.C.C.C.C.C.CC1(C)c2c(-c3ccccn3)[c-]ccc2-c2cccc(C34CCC(CC3)CC4)c21.CC1(C)c2ccccc2-c2cc[c-]c(-c3cc(C45CCC(CC4)CC5)ccn3)c21.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc(C34CCC(CC3)CC4)c3ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C45CCC(CC4)CC5)cccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3c(C45CCC(CC4)CC5)cccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccc2c(sc3c(C45CCC(CC4)CC5)cccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccccc1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccccc1-c1ccc(C23CCC(CC2)CC3)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C28H28N.2C25H22NO.2C25H22NS.2C25H26N.2C19H20N.2C13H24O2.8C11H8N.10CH4.10Ir/c1-27(2)25-20(7-5-9-22(25)24-11-3-4-18-29-24)21-8-6-10-23(26(21)27)28-15-12-19(13-16-28)14-17-28;1-27(2)24-9-4-3-6-21(24)22-7-5-8-23(26(22)27)25-18-20(13-17-29-25)28-14-10-19(11-15-28)12-16-28;1-2-16-26-22(9-1)20-7-3-5-18-19-6-4-8-21(24(19)27-23(18)20)25-13-10-17(11-14-25)12-15-25;1-2-7-23-19(4-1)20-5-3-6-21(24(20)27-23)22-16-18(11-15-26-22)25-12-8-17(9-13-25)10-14-25;1-2-16-26-22(9-1)20-7-3-5-18-19-6-4-8-21(24(19)27-23(18)20)25-13-10-17(11-14-25)12-15-25;1-2-7-23-19(4-1)20-5-3-6-21(24(20)27-23)22-16-18(11-15-26-22)25-12-8-17(9-13-25)10-14-25;1-17-14-18(2)16-20(15-17)24-22-4-3-5-23(21(22)9-13-26-24)25-10-6-19(7-11-25)8-12-25;1-17-13-18(2)15-20(14-17)24-22-6-4-3-5-21(22)23(16-26-24)25-10-7-19(8-11-25)9-12-25;1-2-4-16(5-3-1)18-14-17(9-13-20-18)19-10-6-15(7-11-19)8-12-19;1-2-4-16(5-3-1)18-7-6-17(14-20-18)19-11-8-15(9-12-19)10-13-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;8*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;;;;;;;;;;;/h3-8,10-11,18-19H,12-17H2,1-2H3;3-7,9,13,17-19H,10-12,14-16H2,1-2H3;1-6,8-9,16-17H,10-15H2;1-5,7,11,15-17H,8-10,12-14H2;1-6,8-9,16-17H,10-15H2;1-5,7,11,15-17H,8-10,12-14H2;3-5,9,13-15,19H,6-8,10-12H2,1-2H3;3-6,13-14,16,19H,7-12H2,1-2H3;1-4,9,13-15H,6-8,10-12H2;1-4,6-7,14-15H,8-13H2;2*9-11,14H,5-8H2,1-4H3;8*1-6,8-9H;10*1H4;;;;;;;;;;/q10*-1;;;8*-1;;;;;;;;;;;;;;;;;;;;
InChIKeyUCHXCYIZCBEHSJ-UHFFFAOYSA-N
XLogP98.86
TPSA332.90 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds42
Heavy Atoms404
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007145.58
LogP ≤ 598.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine) with MolForge

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Launch Full Analysis

Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)pyridine;1-(3,5-dimethylbenzene-6-id-1-yl)naphtho[2,1-f]isoquinoline;iridium(3+);2-phenylpyridine
CID 168745315
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(10,10-dimethyl-2H-indeno[1,2-b][1]benzothiol-2-id-1-yl)-[1]benzofuro[2,3-c]pyridine;iridium
CID 168815380
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;iridium;2-(4-phenylbenzene-6-id-1-yl)pyridine
CID 155620580
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-fluoro-7-methylquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);tetrakis(2-phenylpyridine)
CID 161159552
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;iridium
CID 154589556
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158812599
2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;iridium(3+);2-phenyl-4-[2-[2-[2-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]phenyl]pyridine
CID 171438318
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-fluoroquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 159229699
7-(1-adamantyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156654950
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylsilane;iridium
CID 166018723
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;7-(3,5-dimethylbenzene-6-id-1-yl)-4-(4,4-dimethylcyclohexyl)-1,8-phenanthroline;iridium
CID 156667260

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)?
The IUPAC name of 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine) (CID 157304191) is 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine).
What is the SMILES notation for 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)?
The canonical SMILES for 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine) is C.C.C.C.C.C.C.C.C.C.CC1(C)c2c(-c3ccccn3)[c-]ccc2-c2cccc(C34CCC(CC3)CC4)c21.CC1(C)c2ccccc2-c2cc[c-]c(-c3cc(C45CCC(CC4)CC5)ccn3)c21.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc(C34CCC(CC3)CC4)c3ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C45CCC(CC4)CC5)cccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3c(C45CCC(CC4)CC5)cccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccc2c(sc3c(C45CCC(CC4)CC5)cccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccccc1-c1cc(C23CCC(CC2)CC3)ccn1.[c-]1ccccc1-c1ccc(C23CCC(CC2)CC3)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)?
The InChIKey is UCHXCYIZCBEHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N.2C25H22NO.2C25H22NS.2C25H26N.2C19H20N.2C13H24O2.8C11H8N.10CH4.10Ir/c1-27(2)25-20(7-5-9-22(25)24-11-3-4-18-29-24)21-8-6-10-23(26(21)27)28-15-12-19(13-16-28)14-17-28;1-27(2)24-9-4-3-6-21(24)22-7-5-8-23(26(22)27)25-18-20(13-17-29-25)28-14-10-19(11-15-28)12-16-28;1-2-16-26-22(9-1)20-7-3-5-18-19-6-4-8-21(24(19)27-23(18)20)25-13-10-17(11-14-25)12-15-25;1-2-7-23-19(4-1)20-5-3-6-21(24(20)27-23)22-16-18(11-15-26-22)25-12-8-17(9-13-25)10-14-25;1-2-16-26-22(9-1)20-7-3-5-18-19-6-4-8-21(24(19)27-23(18)20)25-13-10-17(11-14-25)12-15-25;1-2-7-23-19(4-1)20-5-3-6-21(24(20)27-23)22-16-18(11-15-26-22)25-12-8-17(9-13-25)10-14-25;1-17-14-18(2)16-20(15-17)24-22-4-3-5-23(21(22)9-13-26-24)25-10-6-19(7-11-25)8-12-25;1-17-13-18(2)15-20(14-17)24-22-6-4-3-5-21(22)23(16-26-24)25-10-7-19(8-11-25)9-12-25;1-2-4-16(5-3-1)18-14-17(9-13-20-18)19-10-6-15(7-11-19)8-12-19;1-2-4-16(5-3-1)18-7-6-17(14-20-18)19-11-8-15(9-12-19)10-13-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;8*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;;;;;;;;;;;/h3-8,10-11,18-19H,12-17H2,1-2H3;3-7,9,13,17-19H,10-12,14-16H2,1-2H3;1-6,8-9,16-17H,10-15H2;1-5,7,11,15-17H,8-10,12-14H2;1-6,8-9,16-17H,10-15H2;1-5,7,11,15-17H,8-10,12-14H2;3-5,9,13-15,19H,6-8,10-12H2,1-2H3;3-6,13-14,16,19H,7-12H2,1-2H3;1-4,9,13-15H,6-8,10-12H2;1-4,6-7,14-15H,8-13H2;2*9-11,14H,5-8H2,1-4H3;8*1-6,8-9H;10*1H4;;;;;;;;;;/q10*-1;;;8*-1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)?
2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine) has a molecular weight of 7145.58 g/mol, XLogP of 98.86, 42 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine) is sourced from PubChem (CID 157304191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).