bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)

C390H330F6Ir6N18O3+6 — CID 159042299

IUPACbis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)
SMILESCC(C)(C)c1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.CC(C)(C)c1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CC(C)(C)c1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CCCCCCCCc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.CCCCCCCCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CCCCCCCCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.Cc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1F.Cc1cc(-c2[nH+]ccc3c2ccc2ccccc23)ccc1F.Cc1cc(-c2[nH+]ccc3c2ccc2ccccc23)ccc1F.Cc1cc(-c2nccc3c2ccc2ccccc23)[c-]cc1F.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1F.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1F.OCc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.OCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.OCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C27H29N.C27H28N.2C23H21N.C23H20N.2C20H14FN.C20H13FN.2C20H14FN.C20H13FN.2C20H15NO.C20H14NO.2C20H15N.C20H14N.6Ir/c3*1-2-3-4-5-6-7-10-21-13-15-23(16-14-21)27-26-18-17-22-11-8-9-12-24(22)25(26)19-20-28-27;3*1-23(2,3)18-11-8-17(9-12-18)22-21-13-10-16-6-4-5-7-19(16)20(21)14-15-24-22;3*1-13-12-15(7-9-19(13)21)20-18-8-6-14-4-2-3-5-16(14)17(18)10-11-22-20;3*1-13-6-7-15(12-19(13)21)20-18-9-8-14-4-2-3-5-16(14)17(18)10-11-22-20;3*22-13-14-5-7-16(8-6-14)20-19-10-9-15-3-1-2-4-17(15)18(19)11-12-21-20;3*1-14-6-8-16(9-7-14)20-19-11-10-15-4-2-3-5-17(15)18(19)12-13-21-20;;;;;;/h2*8-9,11-20H,2-7,10H2,1H3;8-9,11-15,17-20H,2-7,10H2,1H3;2*4-15H,1-3H3;4-8,10-15H,1-3H3;2*2-12H,1H3;2-6,8-12H,1H3;2*2-12H,1H3;2-6,8-12H,1H3;2*1-12,22H,13H2;1-7,9-12,22H,13H2;2*2-13H,1H3;2-8,10-13H,1H3;;;;;;/q;;-1;;;-1;;;-1;;;-1;;;-1;;;-1;;;;;;/p+12
InChIKeyMBQPACJSUZAKGZ-UHFFFAOYSA-Z
MW6584.34 g/mol
LogP97.49
Rot. Bonds42

About bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)

bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium) (PubChem CID 159042299) has the molecular formula C390H330F6Ir6N18O3+6 and a molecular weight of 6584.34 g/mol. Its IUPAC name is bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium).

Molecular Properties

Compound Namebis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)
PubChem CID159042299
Molecular FormulaC390H330F6Ir6N18O3+6
Molecular Weight6584.34 g/mol
Exact Mass6584.39
IUPAC Namebis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)
SMILESCC(C)(C)c1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.CC(C)(C)c1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CC(C)(C)c1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CCCCCCCCc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.CCCCCCCCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CCCCCCCCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.Cc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1F.Cc1cc(-c2[nH+]ccc3c2ccc2ccccc23)ccc1F.Cc1cc(-c2[nH+]ccc3c2ccc2ccccc23)ccc1F.Cc1cc(-c2nccc3c2ccc2ccccc23)[c-]cc1F.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1F.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1F.OCc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.OCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.OCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C27H29N.C27H28N.2C23H21N.C23H20N.2C20H14FN.C20H13FN.2C20H14FN.C20H13FN.2C20H15NO.C20H14NO.2C20H15N.C20H14N.6Ir/c3*1-2-3-4-5-6-7-10-21-13-15-23(16-14-21)27-26-18-17-22-11-8-9-12-24(22)25(26)19-20-28-27;3*1-23(2,3)18-11-8-17(9-12-18)22-21-13-10-16-6-4-5-7-19(16)20(21)14-15-24-22;3*1-13-12-15(7-9-19(13)21)20-18-8-6-14-4-2-3-5-16(14)17(18)10-11-22-20;3*1-13-6-7-15(12-19(13)21)20-18-9-8-14-4-2-3-5-16(14)17(18)10-11-22-20;3*22-13-14-5-7-16(8-6-14)20-19-10-9-15-3-1-2-4-17(15)18(19)11-12-21-20;3*1-14-6-8-16(9-7-14)20-19-11-10-15-4-2-3-5-17(15)18(19)12-13-21-20;;;;;;/h2*8-9,11-20H,2-7,10H2,1H3;8-9,11-15,17-20H,2-7,10H2,1H3;2*4-15H,1-3H3;4-8,10-15H,1-3H3;2*2-12H,1H3;2-6,8-12H,1H3;2*2-12H,1H3;2-6,8-12H,1H3;2*1-12,22H,13H2;1-7,9-12,22H,13H2;2*2-13H,1H3;2-8,10-13H,1H3;;;;;;/q;;-1;;;-1;;;-1;;;-1;;;-1;;;-1;;;;;;/p+12
InChIKeyMBQPACJSUZAKGZ-UHFFFAOYSA-Z
XLogP97.49
TPSA307.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds42
Heavy Atoms423
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006584.34
LogP ≤ 597.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium) with MolForge

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Launch Full Analysis

Related Compounds

(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
CID 157086048
[2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
CID 157359893
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 157712586
CID 158090218
CID 158090218
CID 159169908
CID 159169908
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
CID 159686413
CID 160000458
CID 160000458
tris(2-(4-tert-butylbenzene-6-id-1-yl)pyridine);4-hydroxy-3-methylpent-3-en-2-one;pentakis(iridium);bis(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);bis(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);bis(4-phenylbenzo[f]isoquinoline);4-phenylbenzo[f]isoquinolin-3-ium;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
CID 160153466
2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 160490904
2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;3-(7-methyl-1H-indol-3-yl)quinoline
CID 160849223
2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 161411202
CID 161587374
CID 161587374

Frequently Asked Questions

What is the IUPAC name of bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)?
The IUPAC name of bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium) (CID 159042299) is bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium).
What is the SMILES notation for bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)?
The canonical SMILES for bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium) is CC(C)(C)c1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.CC(C)(C)c1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CC(C)(C)c1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CCCCCCCCc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.CCCCCCCCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.CCCCCCCCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.Cc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1F.Cc1cc(-c2[nH+]ccc3c2ccc2ccccc23)ccc1F.Cc1cc(-c2[nH+]ccc3c2ccc2ccccc23)ccc1F.Cc1cc(-c2nccc3c2ccc2ccccc23)[c-]cc1F.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1F.Cc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1F.OCc1c[c-]c(-c2nccc3c2ccc2ccccc23)cc1.OCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.OCc1ccc(-c2[nH+]ccc3c2ccc2ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)?
The InChIKey is MBQPACJSUZAKGZ-UHFFFAOYSA-Z. The full InChI is InChI=1S/2C27H29N.C27H28N.2C23H21N.C23H20N.2C20H14FN.C20H13FN.2C20H14FN.C20H13FN.2C20H15NO.C20H14NO.2C20H15N.C20H14N.6Ir/c3*1-2-3-4-5-6-7-10-21-13-15-23(16-14-21)27-26-18-17-22-11-8-9-12-24(22)25(26)19-20-28-27;3*1-23(2,3)18-11-8-17(9-12-18)22-21-13-10-16-6-4-5-7-19(16)20(21)14-15-24-22;3*1-13-12-15(7-9-19(13)21)20-18-8-6-14-4-2-3-5-16(14)17(18)10-11-22-20;3*1-13-6-7-15(12-19(13)21)20-18-9-8-14-4-2-3-5-16(14)17(18)10-11-22-20;3*22-13-14-5-7-16(8-6-14)20-19-10-9-15-3-1-2-4-17(15)18(19)11-12-21-20;3*1-14-6-8-16(9-7-14)20-19-11-10-15-4-2-3-5-17(15)18(19)12-13-21-20;;;;;;/h2*8-9,11-20H,2-7,10H2,1H3;8-9,11-15,17-20H,2-7,10H2,1H3;2*4-15H,1-3H3;4-8,10-15H,1-3H3;2*2-12H,1H3;2-6,8-12H,1H3;2*2-12H,1H3;2-6,8-12H,1H3;2*1-12,22H,13H2;1-7,9-12,22H,13H2;2*2-13H,1H3;2-8,10-13H,1H3;;;;;;/q;;-1;;;-1;;;-1;;;-1;;;-1;;;-1;;;;;;/p+12.
What are the key properties of bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium)?
bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium) has a molecular weight of 6584.34 g/mol, XLogP of 97.49, 42 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-benzo[f]isoquinolin-3-ium-4-ylphenyl)methanol);(4-benzo[f]isoquinolin-4-ylbenzene-5-id-1-yl)methanol;4-(4-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-tert-butylphenyl)benzo[f]isoquinolin-3-ium);4-(3-fluoro-4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(3-fluoro-4-methylphenyl)benzo[f]isoquinolin-3-ium);bis(4-(4-fluoro-3-methylphenyl)benzo[f]isoquinolin-3-ium);hexakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-methylphenyl)benzo[f]isoquinolin-3-ium);4-(4-octylbenzene-6-id-1-yl)benzo[f]isoquinoline;bis(4-(4-octylphenyl)benzo[f]isoquinolin-3-ium) is sourced from PubChem (CID 159042299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).