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+)

C145H134F2Ir2N14OPt-8 — CID 161259248

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-(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+)

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+) (PubChem CID 161259248) has the molecular formula C145H134F2Ir2N14OPt-8 and a molecular weight of 2706.27 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-(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+).

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-(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+)
• PubChem CID: 161259248
• Molecular Formula: C145H134F2Ir2N14OPt-8
• Molecular Weight: 2706.27 g/mol
• Exact Mass: 2705.98
• 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-(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+)
• SMILES: C.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.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[Pt+2].[c-]1c(/C=N/c2ccccc2-c2[c-]cccc2)cccc1-c1ccccn1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1
• InChI: InChI=1S/C51H57N3.C24H16N2.C21H20N4.C17H17N2.C16H12N2O.C15H8F2N.CH4.2Ir.Pt/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;1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23;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;1-14(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;;;;/h7-18,25-30,34-36,43-45H,4-6,19-24,31-33H2,1-3H3;1-10,12-16,18H;1-6,8,10,14-19H,7,12-13H2;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;1H4;;;/q;-2;-4;-1;-2;-1;;;;+2/b;26-18+;;14-13?,19-15+;;;;;;/t43?,44-,45+
• InChIKey: JCEAHOJPGKUEEK-LGDBENORSA-N
• XLogP: 33.42
• TPSA: 109.10 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2706.27
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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-(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+)?

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-(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) 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-(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+).

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-(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+)?

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-(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+) is C.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.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.Fc1c[c-]c(-c2nccc3ccccc23)c(F)c1.[Ir].[Ir].[Pt+2].[c-]1c(/C=N/c2ccccc2-c2[c-]cccc2)cccc1-c1ccccn1.[c-]1ccccc1N1C=CN(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.

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-(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+)?

The InChIKey is JCEAHOJPGKUEEK-LGDBENORSA-N. The full InChI is InChI=1S/C51H57N3.C24H16N2.C21H20N4.C17H17N2.C16H12N2O.C15H8F2N.CH4.2Ir.Pt/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;1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23;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;1-14(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;;;;/h7-18,25-30,34-36,43-45H,4-6,19-24,31-33H2,1-3H3;1-10,12-16,18H;1-6,8,10,14-19H,7,12-13H2;3-13H,1-2H3;2-6,8-11H,1H3;1-5,7-9H;1H4;;;/q;-2;-4;-1;-2;-1;;;;+2/b;26-18+;;14-13?,19-15+;;;;;;/t43?,44-,45+;;;;;;;;;.

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-(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+)?

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+) has a molecular weight of 2706.27 g/mol, XLogP of 33.42, 27 rotatable bonds, 0 hydrogen bond donors, and 11 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-(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+) is sourced from PubChem (CID 161259248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).