5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene

C305H267F2Ir4N29O5-6 — CID 161045722

About 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene

5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene (PubChem CID 161045722) has the molecular formula C305H267F2Ir4N29O5-6 and a molecular weight of 5233.60 g/mol. Its IUPAC name is 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene
• PubChem CID: 161045722
• Molecular Formula: C305H267F2Ir4N29O5-6
• Molecular Weight: 5233.60 g/mol
• Exact Mass: 5233.06
• IUPAC Name: 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene
• SMILES: C1=CC2=CN3c4ccccc4CC3N2C=C1.C=C1Oc2ccccc2[C-]=C1c1ccccn1.C=[N+]1C=C(CC[C@@H]2CC(CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C2)C=C[C-]1c1ccccc1C.CC(=C/C(C)=N/c1ccccc1)[N-]c1ccccc1.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)n1nc2c3ccccc3c3cccc4c3c2[n+]1C4.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])C[n+]1c([2H])c([2H])c([2H])c([2H])c1-2.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.c1ccc2c(c1)C[n+]1c-2n(-c2cccc3ccccc23)c2ccccc21.c1ccc2c(c1)C[n+]1ccn(-c3cccc4ccccc34)c1-2
• InChI: InChI=1S/C51H57N3.C27H18N.C24H17N2.C22H25N2.C21H20N4.C20H15N2.C18H16N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.4Ir/c1-37-13-7-10-16-46(37)49-28-25-40(34-52(49)4)19-22-43-31-44(23-20-41-26-29-50(53(5)35-41)47-17-11-8-14-38(47)2)33-45(32-43)24-21-42-27-30-51(54(6)36-42)48-18-12-9-15-39(48)3;1-4-10-20(11-5-1)23-16-17-26-25(18-23)24(21-12-6-2-7-13-21)19-27(28-26)22-14-8-3-9-15-22;1-3-11-19-17(8-1)10-7-15-21(19)26-23-14-6-5-13-22(23)25-16-18-9-2-4-12-20(18)24(25)26;1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24;1-3-8-20(9-4-1)24-16-14-22(18-24)12-7-13-23-15-17-25(19-23)21-10-5-2-6-11-21;1-3-9-17-15(6-1)8-5-11-19(17)22-13-12-21-14-16-7-2-4-10-18(16)20(21)22;1-11(2)21-19-17-15-8-4-3-7-13(15)14-9-5-6-12-10-20(21)18(17)16(12)14;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15;1-11-13(14-7-4-5-9-16-14)10-12-6-2-3-8-15(12)17-11;1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;/h7-18,25-30,34-36,43-45H,4-6,19-24,31-33H2,1-3H3;1-14,16-19H;1-15H,16H2;5-13,15-16H,14H2,1-4H3;1-6,8,10,14-19H,7,12-13H2;1-13H,14H2;3-9,11H,10H2,1-2H3;2-9,15H,10H2,1H3;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;2-9H,1H2;1-8,10,14H,9H2;1-8H,9H2;1-6,8-9H;3,6H,1-2H3;;;;/q;-1;2*+1;-4;2*+1;;-1;-2;2*-1;;+1;-1;;;;;/b;;;;;;;;14-13?,19-15+;;;;;;;;;;;/t43?,44-,45+;;;;;;;;;;;;;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D,8D
• InChIKey: ILBDMWBYMDGNSH-PMVBADSUSA-N
• XLogP: 66.82
• TPSA: 247.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 345
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5233.60
LogP ≤ 5	66.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene?

The IUPAC name of 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene (CID 161045722) is 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene.

What is the SMILES notation for 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene?

The canonical SMILES for 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene is C1=CC2=CN3c4ccccc4CC3N2C=C1.C=C1Oc2ccccc2[C-]=C1c1ccccn1.C=[N+]1C=C(CC[C@@H]2CC(CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C2)C=C[C-]1c1ccccc1C.CC(=C/C(C)=N/c1ccccc1)[N-]c1ccccc1.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)n1nc2c3ccccc3c3cccc4c3c2[n+]1C4.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])C[n+]1c([2H])c([2H])c([2H])c([2H])c1-2.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.c1ccc2c(c1)C[n+]1c-2n(-c2cccc3ccccc23)c2ccccc21.c1ccc2c(c1)C[n+]1ccn(-c3cccc4ccccc34)c1-2.

What is the InChIKey of 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene?

The InChIKey is ILBDMWBYMDGNSH-PMVBADSUSA-N. The full InChI is InChI=1S/C51H57N3.C27H18N.C24H17N2.C22H25N2.C21H20N4.C20H15N2.C18H16N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.4Ir/c1-37-13-7-10-16-46(37)49-28-25-40(34-52(49)4)19-22-43-31-44(23-20-41-26-29-50(53(5)35-41)47-17-11-8-14-38(47)2)33-45(32-43)24-21-42-27-30-51(54(6)36-42)48-18-12-9-15-39(48)3;1-4-10-20(11-5-1)23-16-17-26-25(18-23)24(21-12-6-2-7-13-21)19-27(28-26)22-14-8-3-9-15-22;1-3-11-19-17(8-1)10-7-15-21(19)26-23-14-6-5-13-22(23)25-16-18-9-2-4-12-20(18)24(25)26;1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24;1-3-8-20(9-4-1)24-16-14-22(18-24)12-7-13-23-15-17-25(19-23)21-10-5-2-6-11-21;1-3-9-17-15(6-1)8-5-11-19(17)22-13-12-21-14-16-7-2-4-10-18(16)20(21)22;1-11(2)21-19-17-15-8-4-3-7-13(15)14-9-5-6-12-10-20(21)18(17)16(12)14;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15;1-11-13(14-7-4-5-9-16-14)10-12-6-2-3-8-15(12)17-11;1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;/h7-18,25-30,34-36,43-45H,4-6,19-24,31-33H2,1-3H3;1-14,16-19H;1-15H,16H2;5-13,15-16H,14H2,1-4H3;1-6,8,10,14-19H,7,12-13H2;1-13H,14H2;3-9,11H,10H2,1-2H3;2-9,15H,10H2,1H3;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;2-9H,1H2;1-8,10,14H,9H2;1-8H,9H2;1-6,8-9H;3,6H,1-2H3;;;;/q;-1;2*+1;-4;2*+1;;-1;-2;2*-1;;+1;-1;;;;;/b;;;;;;;;14-13?,19-15+;;;;;;;;;;;/t43?,44-,45+;;;;;;;;;;;;;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D,8D;;;;;;.

What are the key properties of 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene?

5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene has a molecular weight of 5233.60 g/mol, XLogP of 66.82, 35 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3R,5S)-3,5-bis[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidenepyridin-1-ium;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 161045722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).