10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide

C136H114F2Ir3N15O4-9 — CID 163847978

IUPAC10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide
SMILESCC(=C/C(C)=N/c1ccccc1)[N-]c1ccccc1.CC(=O)C=C(C)O.CC(C)/N=N/c1c2c3c(cccc3c3ccccc13)CN2.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1
InChIInChI=1S/C27H18N.C21H20N4.C18H17N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C5H8O2.3Ir/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;1-3-8-20(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;1-11(2)20-21-17-15-8-4-3-7-13(15)14-9-5-6-12-10-19-18(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;1-4(6)3-5(2)7;;;/h1-14,16-19H;1-6,8,10,14-19H,7,12-13H2;3-9,11,19H,10H2,1-2H3;2-9,15H,10H2,1H3;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;3,6H,1-2H3;;;/q-1;-4;;;-1;-2;-1;;;;/b;;21-20+;;14-13?,19-15+;;;;;;
InChIKeyHPNYVFKYRSOXPO-PSUVMCMNSA-N
MW2637.16 g/mol
LogP34.07
Rot. Bonds18

About 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide

10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide (PubChem CID 163847978) has the molecular formula C136H114F2Ir3N15O4-9 and a molecular weight of 2637.16 g/mol. Its IUPAC name is 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide.

Molecular Properties

Compound Name10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide
PubChem CID163847978
Molecular FormulaC136H114F2Ir3N15O4-9
Molecular Weight2637.16 g/mol
Exact Mass2637.81
IUPAC Name10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide
SMILESCC(=C/C(C)=N/c1ccccc1)[N-]c1ccccc1.CC(=O)C=C(C)O.CC(C)/N=N/c1c2c3c(cccc3c3ccccc13)CN2.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1
InChIInChI=1S/C27H18N.C21H20N4.C18H17N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C5H8O2.3Ir/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;1-3-8-20(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;1-11(2)20-21-17-15-8-4-3-7-13(15)14-9-5-6-12-10-19-18(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;1-4(6)3-5(2)7;;;/h1-14,16-19H;1-6,8,10,14-19H,7,12-13H2;3-9,11,19H,10H2,1-2H3;2-9,15H,10H2,1H3;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;3,6H,1-2H3;;;/q-1;-4;;;-1;-2;-1;;;;/b;;21-20+;;14-13?,19-15+;;;;;;
InChIKeyHPNYVFKYRSOXPO-PSUVMCMNSA-N
XLogP34.07
TPSA178.49 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002637.16
LogP ≤ 534.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide with MolForge

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Related Compounds

benzene;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;4-hydroxypent-3-en-2-one;tris(iridium);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;4-phenyliminopent-2-en-2-ylazanide;1-phenyl-3-[3-(3-phenylimidazolidin-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 161374333
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
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
benzene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;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;tris(iridium);methane;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;4-phenyliminopent-2-en-2-ylazanide;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 158712515
benzene;5-[2-[(3S,5R)-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-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;tris(iridium);bis(1-methylidene-5-[2-[(1S,5R)-3-[2-[1-methylidene-6-(4-methylpent-1-en-3-ylidene)pyridin-1-ium-3-yl]ethyl]-5-[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(2-methylphenyl)pyridin-1-ium-2-ide);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;4-phenyliminopent-2-en-2-ylazanide;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 159467998
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;bis(iridium);tris(2-(6-methylcyclohexa-2,4-dien-1-ylidene)-1-methylidene-5-[2-[(1R,3S,5R)-3-[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]-5-[2-(1-methylidene-6-phenylpyridin-1-ium-6-id-3-yl)ethyl]cyclohexyl]ethyl]pyridin-1-ium);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;4-phenyliminopent-2-en-2-ylazanide;1-phenyl-3-[3-(3-phenyl-3H-pyrazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 158314382
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-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;bis(iridium);methane;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;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;platinum(2+)
CID 161259248
10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;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;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine
CID 160591053
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 140735871
benzene;5-[2-[(3S,5R)-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-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline;bis(iridium);bis(1-methylidene-5-[2-[(1S,5R)-3-[2-[1-methylidene-6-(4-methylpent-1-en-3-ylidene)pyridin-1-ium-3-yl]ethyl]-5-[2-[1-methylidene-6-(2-methylphenyl)pyridin-1-ium-6-id-3-yl]ethyl]cyclohexyl]ethyl]-2-(2-methylphenyl)pyridin-1-ium-2-ide);4-phenyliminopent-2-en-2-ylazanide;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 158547303
2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-3a,4-dihydroimidazo[1,2-a]indole;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;4-phenylthieno[2,3-d]pyrimidine
CID 160523066
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158346827

Frequently Asked Questions

What is the IUPAC name of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide?
The IUPAC name of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide (CID 163847978) is 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide.
What is the SMILES notation for 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide?
The canonical SMILES for 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide is CC(=C/C(C)=N/c1ccccc1)[N-]c1ccccc1.CC(=O)C=C(C)O.CC(C)/N=N/c1c2c3c(cccc3c3ccccc13)CN2.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.
What is the InChIKey of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide?
The InChIKey is HPNYVFKYRSOXPO-PSUVMCMNSA-N. The full InChI is InChI=1S/C27H18N.C21H20N4.C18H17N3.C17H14N2O.C17H17N2.C16H12N2O.C15H8F2N.C5H8O2.3Ir/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;1-3-8-20(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;1-11(2)20-21-17-15-8-4-3-7-13(15)14-9-5-6-12-10-19-18(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;1-4(6)3-5(2)7;;;/h1-14,16-19H;1-6,8,10,14-19H,7,12-13H2;3-9,11,19H,10H2,1-2H3;2-9,15H,10H2,1H3;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;3,6H,1-2H3;;;/q-1;-4;;;-1;-2;-1;;;;/b;;21-20+;;14-13?,19-15+;;;;;;.
What are the key properties of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide?
10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide has a molecular weight of 2637.16 g/mol, XLogP of 34.07, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;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;4-hydroxypent-3-en-2-one;tris(iridium);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-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide;phenyl(4-phenyliminopent-2-en-2-yl)azanide is sourced from PubChem (CID 163847978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).