bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene

C416H358Ir10N18O11+2 — CID 158659000

IUPACbis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
SMILESCC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCc1c[c-]c(-c2nccc3ccccc23)cc1.CCc1ccc(-c2[nH+]ccc3ccccc23)cc1.COc1ccc(C2=C3C(c4ccc(C(C)(C)C)cc4)=CC(c4ccc(C(C)(C)C)cc4)=[N+]3Cn3c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c32)cc1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.[C-]1=C(c2ccc3ccccc3n2)CCC1.[C-]1=C(c2ccc3ccccc3n2)CCC1.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c84)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H36.C57H63N2O.2C24H18N.2C17H14N.2C17H13N.C17H12N.C17H15N.C17H14N.3C15H11N.2C15H10N.2C14H12N.5C5H8O2.10Ir/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40;1-54(2,3)42-24-14-37(15-25-42)47-34-49(39-18-28-44(29-19-39)56(7,8)9)58-36-59-50(40-20-30-45(31-21-40)57(10,11)12)35-48(38-16-26-43(27-17-38)55(4,5)6)53(59)51(52(47)58)41-22-32-46(60-13)33-23-41;2*1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;2*1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;3*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17;5*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14;5*1-4(6)3-5(2)7;;;;;;;;;;/h1-36H;14-35H,36H2,1-13H3;2*3-10,12-15H,1-2H3;2*3-10H,1-2H3;2*1-13H;1-9,11-13H;3-12H,2H2,1H3;3-9,11-12H,2H2,1H3;3*1-11H;2*1-7,9-11H;2*3-4,7-10H,1-2,5H2;5*3,6H,1-2H3;;;;;;;;;;/q;+1;4*-1;;;-1;;-1;;;;4*-1;;;;;;;;;;;;;;;/p+11
InChIKeyZKOHJAMIQMLNBG-UHFFFAOYSA-Y
MW7707.73 g/mol
LogP102.66
Rot. Bonds36

About bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene

bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene (PubChem CID 158659000) has the molecular formula C416H358Ir10N18O11+2 and a molecular weight of 7707.73 g/mol. Its IUPAC name is bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene.

Molecular Properties

Compound Namebis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
PubChem CID158659000
Molecular FormulaC416H358Ir10N18O11+2
Molecular Weight7707.73 g/mol
Exact Mass7710.43
IUPAC Namebis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
SMILESCC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCc1c[c-]c(-c2nccc3ccccc23)cc1.CCc1ccc(-c2[nH+]ccc3ccccc23)cc1.COc1ccc(C2=C3C(c4ccc(C(C)(C)C)cc4)=CC(c4ccc(C(C)(C)C)cc4)=[N+]3Cn3c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c32)cc1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.[C-]1=C(c2ccc3ccccc3n2)CCC1.[C-]1=C(c2ccc3ccccc3n2)CCC1.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c84)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H36.C57H63N2O.2C24H18N.2C17H14N.2C17H13N.C17H12N.C17H15N.C17H14N.3C15H11N.2C15H10N.2C14H12N.5C5H8O2.10Ir/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40;1-54(2,3)42-24-14-37(15-25-42)47-34-49(39-18-28-44(29-19-39)56(7,8)9)58-36-59-50(40-20-30-45(31-21-40)57(10,11)12)35-48(38-16-26-43(27-17-38)55(4,5)6)53(59)51(52(47)58)41-22-32-46(60-13)33-23-41;2*1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;2*1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;3*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17;5*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14;5*1-4(6)3-5(2)7;;;;;;;;;;/h1-36H;14-35H,36H2,1-13H3;2*3-10,12-15H,1-2H3;2*3-10H,1-2H3;2*1-13H;1-9,11-13H;3-12H,2H2,1H3;3-9,11-12H,2H2,1H3;3*1-11H;2*1-7,9-11H;2*3-4,7-10H,1-2,5H2;5*3,6H,1-2H3;;;;;;;;;;/q;+1;4*-1;;;-1;;-1;;;;4*-1;;;;;;;;;;;;;;;/p+11
InChIKeyZKOHJAMIQMLNBG-UHFFFAOYSA-Y
XLogP102.66
TPSA439.06 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms455
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007707.73
LogP ≤ 5102.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The IUPAC name of bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene (CID 158659000) is bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene.
What is the SMILES notation for bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The canonical SMILES for bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene is CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCc1c[c-]c(-c2nccc3ccccc23)cc1.CCc1ccc(-c2[nH+]ccc3ccccc23)cc1.COc1ccc(C2=C3C(c4ccc(C(C)(C)C)cc4)=CC(c4ccc(C(C)(C)C)cc4)=[N+]3Cn3c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c32)cc1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.[C-]1=C(c2ccc3ccccc3n2)CCC1.[C-]1=C(c2ccc3ccccc3n2)CCC1.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c84)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The InChIKey is ZKOHJAMIQMLNBG-UHFFFAOYSA-Y. The full InChI is InChI=1S/C64H36.C57H63N2O.2C24H18N.2C17H14N.2C17H13N.C17H12N.C17H15N.C17H14N.3C15H11N.2C15H10N.2C14H12N.5C5H8O2.10Ir/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40;1-54(2,3)42-24-14-37(15-25-42)47-34-49(39-18-28-44(29-19-39)56(7,8)9)58-36-59-50(40-20-30-45(31-21-40)57(10,11)12)35-48(38-16-26-43(27-17-38)55(4,5)6)53(59)51(52(47)58)41-22-32-46(60-13)33-23-41;2*1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;2*1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;3*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17;5*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14;5*1-4(6)3-5(2)7;;;;;;;;;;/h1-36H;14-35H,36H2,1-13H3;2*3-10,12-15H,1-2H3;2*3-10H,1-2H3;2*1-13H;1-9,11-13H;3-12H,2H2,1H3;3-9,11-12H,2H2,1H3;3*1-11H;2*1-7,9-11H;2*3-4,7-10H,1-2,5H2;5*3,6H,1-2H3;;;;;;;;;;/q;+1;4*-1;;;-1;;-1;;;;4*-1;;;;;;;;;;;;;;;/p+11.
What are the key properties of bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene has a molecular weight of 7707.73 g/mol, XLogP of 102.66, 36 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(cyclopenten-1-yl)quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);bis(2,4-diphenylpyridin-1-ium);1-(4-ethylbenzene-6-id-1-yl)isoquinoline;1-(4-ethylphenyl)isoquinolin-2-ium;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);decakis(iridium);bis(1-phenylisoquinoline);tris(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene is sourced from PubChem (CID 158659000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).