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

C230H232F2Ir2N20O2-8 — CID 158314382

About 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

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 (PubChem CID 158314382) has the molecular formula C230H232F2Ir2N20O2-8 and a molecular weight of 3730.95 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158314382
• Molecular Formula: C230H232F2Ir2N20O2-8
• Molecular Weight: 3730.95 g/mol
• Exact Mass: 3729.79
• IUPAC Name: 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
• SMILES: C=[N+]1C=C(CC[C@@H]2C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C[C@H](CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C2)C=C[C-]1c1ccccc1.C=[N+]1C=C(CC[C@@H]2C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C[C@H](CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C2)C=C[C-]1c1ccccc1.C=[N+]1C=C(CC[C@@H]2C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C[C@H](CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C2)C=C[C-]1c1ccccc1.CC([NH-])=C/C(C)=N/c1ccccc1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[c-]1ccccc1C1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[N-]1
• InChI: InChI=1S/3C50H55N3.C21H20N4.C17H14N2O.C16H12N2O.C15H8F2N.C11H13N2.2Ir/c3*1-37-13-9-11-17-46(37)49-29-26-40(35-52(49)4)20-23-43-31-42(22-19-39-25-28-48(51(3)34-39)45-15-7-6-8-16-45)32-44(33-43)24-21-41-27-30-50(53(5)36-41)47-18-12-10-14-38(47)2;1-3-8-19(9-4-1)21-12-15-25(22-21)14-7-13-23-16-17-24(18-23)20-10-5-2-6-11-20;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;1-17-9-10-18(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;1-9(12)8-10(2)13-11-6-4-3-5-7-11;;/h3*6-18,25-30,34-36,42-44H,3-5,19-24,31-33H2,1-2H3;1-6,8,10,12,15-18,21H,7,13-14H2;2-9,15H,10H2,1H3;2-6,8-11H,1H3;1-5,7-9H;3-8,12H,1-2H3;;/q;;;-4;;-2;2*-1;;/b;;;;;;;9-8?,13-10+;;/t3*42-,43+,44-;;;;;;;/m000......./s1
• InChIKey: RBKPVRPXBNEDHL-XXLPSWGNSA-N
• XLogP: 48.82
• TPSA: 147.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 43
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3730.95
LogP ≤ 5	48.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=[N+]1C=C(CC[C@@H]2C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C[C@H](CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C2)C=C[C-]1c1ccccc1.C=[N+]1C=C(CC[C@@H]2C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C[C@H](CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C2)C=C[C-]1c1ccccc1.C=[N+]1C=C(CC[C@@H]2C[C@H](CCC3=C[N+](=C)[C-](c4ccccc4C)C=C3)C[C@H](CCc3ccc(=C4C=CC=C[C-]4C)[n+](=C)c3)C2)C=C[C-]1c1ccccc1.CC([NH-])=C/C(C)=N/c1ccccc1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[c-]1ccccc1C1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[N-]1.

What is the InChIKey of 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?

The InChIKey is RBKPVRPXBNEDHL-XXLPSWGNSA-N. The full InChI is InChI=1S/3C50H55N3.C21H20N4.C17H14N2O.C16H12N2O.C15H8F2N.C11H13N2.2Ir/c3*1-37-13-9-11-17-46(37)49-29-26-40(35-52(49)4)20-23-43-31-42(22-19-39-25-28-48(51(3)34-39)45-15-7-6-8-16-45)32-44(33-43)24-21-41-27-30-50(53(5)36-41)47-18-12-10-14-38(47)2;1-3-8-19(9-4-1)21-12-15-25(22-21)14-7-13-23-16-17-24(18-23)20-10-5-2-6-11-20;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;1-17-9-10-18(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;1-9(12)8-10(2)13-11-6-4-3-5-7-11;;/h3*6-18,25-30,34-36,42-44H,3-5,19-24,31-33H2,1-2H3;1-6,8,10,12,15-18,21H,7,13-14H2;2-9,15H,10H2,1H3;2-6,8-11H,1H3;1-5,7-9H;3-8,12H,1-2H3;;/q;;;-4;;-2;2*-1;;/b;;;;;;;9-8?,13-10+;;/t3*42-,43+,44-;;;;;;;/m000......./s1.

What are the key properties of 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?

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 has a molecular weight of 3730.95 g/mol, XLogP of 48.82, 43 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158314382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).