3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine

C161H126Ir4N9O6Pt2-5 — CID 162035878

About 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine

3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine (PubChem CID 162035878) has the molecular formula C161H126Ir4N9O6Pt2-5 and a molecular weight of 3441.86 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine
• PubChem CID: 162035878
• Molecular Formula: C161H126Ir4N9O6Pt2-5
• Molecular Weight: 3441.86 g/mol
• Exact Mass: 3442.77
• IUPAC Name: 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1=Cc2ccccc2[N-]C1c1[c-]cccc1.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1cccc2ccc(-c3ccccn3)[c-]c12.[c-]1ccccc1-c1nc(C2(c3cc4ccccc4c(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)cc2ccccc12
• InChI: InChI=1S/C43H26N2.C26H16N2.C24H19N2.C20H14N.C17H14N.C16H13N.3C5H8O2.4Ir.2Pt/c1-3-15-29(16-4-1)41-33-21-9-7-19-31(33)27-39(44-41)43(37-25-13-11-23-35(37)36-24-12-14-26-38(36)43)40-28-32-20-8-10-22-34(32)42(45-40)30-17-5-2-6-18-30;1-3-15-27-25(11-1)21-9-5-8-20(17-21)23-10-6-7-19-13-14-22(18-24(19)23)26-12-2-4-16-28-26;1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;3*1-4(6)3-5(2)7;;;;;;/h1-15,17,19-28H;1-16H;4-9,11-14H,1-3H3;2-10,12-13H,1H3;3-4,6-11H,1-2H3;2-7,9-11,16H,1H3;3*3,6H,1-2H3;;;;;;/q2*-2;3*-1;-2;;;;;;;;2*+2
• InChIKey: WBQHZSRCNMKGLW-UHFFFAOYSA-N
• XLogP: 39.57
• TPSA: 220.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3441.86
LogP ≤ 5	39.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine?

The IUPAC name of 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine (CID 162035878) is 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine.

What is the SMILES notation for 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine?

The canonical SMILES for 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1=Cc2ccccc2[N-]C1c1[c-]cccc1.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1cccc2ccc(-c3ccccn3)[c-]c12.[c-]1ccccc1-c1nc(C2(c3cc4ccccc4c(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)cc2ccccc12.

What is the InChIKey of 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine?

The InChIKey is WBQHZSRCNMKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2.C26H16N2.C24H19N2.C20H14N.C17H14N.C16H13N.3C5H8O2.4Ir.2Pt/c1-3-15-29(16-4-1)41-33-21-9-7-19-31(33)27-39(44-41)43(37-25-13-11-23-35(37)36-24-12-14-26-38(36)43)40-28-32-20-8-10-22-34(32)42(45-40)30-17-5-2-6-18-30;1-3-15-27-25(11-1)21-9-5-8-20(17-21)23-10-6-7-19-13-14-22(18-24(19)23)26-12-2-4-16-28-26;1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;3*1-4(6)3-5(2)7;;;;;;/h1-15,17,19-28H;1-16H;4-9,11-14H,1-3H3;2-10,12-13H,1H3;3-4,6-11H,1-2H3;2-7,9-11,16H,1H3;3*3,6H,1-2H3;;;;;;/q2*-2;3*-1;-2;;;;;;;;2*+2.

What are the key properties of 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine?

3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine has a molecular weight of 3441.86 g/mol, XLogP of 39.57, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenyl-2H-quinolin-1-ide;1-phenyl-3-[9-(1-phenylisoquinolin-3-yl)fluoren-9-yl]isoquinoline;bis(platinum(2+));2-[8-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-naphthalen-1-id-2-yl]pyridine is sourced from PubChem (CID 162035878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).