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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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

C279H231F2Ir4N28O5-5 — CID 158037509

IUPAC1,10-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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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
SMILESC1=CC2=CN3c4ccccc4CC3N2C=C1.C=C1Oc2ccccc2[C-]=C1c1ccccn1.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.Cc1ccc2c(c1)c1cccc3c1c1n2c(-c2c(C)cccc2C)c[n+]1C3.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
InChIInChI=1S/C27H18N.C25H21N2.C24H17N2.C22H25N2.C21H20N4.C20H15N2.C18H16N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.4Ir/c1-4-10-20(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;1-15-10-11-21-20(12-15)19-9-5-8-18-13-26-14-22(27(21)25(26)24(18)19)23-16(2)6-4-7-17(23)3;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;;;;/h1-14,16-19H;4-12,14H,13H2,1-3H3;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;3*+1;-4;2*+1;;-1;-2;2*-1;;+1;-1;;;;;/b;;;;;;;;14-13?,19-15+;;;;;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D,8D;;;;;;
InChIKeyUTODNKCQEQNDNX-ZFRSVBRISA-N
MW4871.02 g/mol
LogP62.19
Rot. Bonds25

About 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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

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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 158037509) has the molecular formula C279H231F2Ir4N28O5-5 and a molecular weight of 4871.02 g/mol. Its IUPAC name is 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 Name1,10-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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 CID158037509
Molecular FormulaC279H231F2Ir4N28O5-5
Molecular Weight4871.02 g/mol
Exact Mass4870.77
IUPAC Name1,10-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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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
SMILESC1=CC2=CN3c4ccccc4CC3N2C=C1.C=C1Oc2ccccc2[C-]=C1c1ccccn1.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.Cc1ccc2c(c1)c1cccc3c1c1n2c(-c2c(C)cccc2C)c[n+]1C3.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
InChIInChI=1S/C27H18N.C25H21N2.C24H17N2.C22H25N2.C21H20N4.C20H15N2.C18H16N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.4Ir/c1-4-10-20(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;1-15-10-11-21-20(12-15)19-9-5-8-18-13-26-14-22(27(21)25(26)24(18)19)23-16(2)6-4-7-17(23)3;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;;;;/h1-14,16-19H;4-12,14H,13H2,1-3H3;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;3*+1;-4;2*+1;;-1;-2;2*-1;;+1;-1;;;;;/b;;;;;;;;14-13?,19-15+;;;;;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D,8D;;;;;;
InChIKeyUTODNKCQEQNDNX-ZFRSVBRISA-N
XLogP62.19
TPSA243.53 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms318
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004871.02
LogP ≤ 562.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 with MolForge

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What is the IUPAC name of 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 158037509) is 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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.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.Cc1ccc2c(c1)c1cccc3c1c1n2c(-c2c(C)cccc2C)c[n+]1C3.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 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 UTODNKCQEQNDNX-ZFRSVBRISA-N. The full InChI is InChI=1S/C27H18N.C25H21N2.C24H17N2.C22H25N2.C21H20N4.C20H15N2.C18H16N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.4Ir/c1-4-10-20(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;1-15-10-11-21-20(12-15)19-9-5-8-18-13-26-14-22(27(21)25(26)24(18)19)23-16(2)6-4-7-17(23)3;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;;;;/h1-14,16-19H;4-12,14H,13H2,1-3H3;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;3*+1;-4;2*+1;;-1;-2;2*-1;;+1;-1;;;;;/b;;;;;;;;14-13?,19-15+;;;;;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D,8D;;;;;;.
What are the key properties of 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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?
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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 4871.02 g/mol, XLogP of 62.19, 25 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;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 158037509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).