2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline

C157H143Ir6N10O10-5 — CID 158615946

About 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline

2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline (PubChem CID 158615946) has the molecular formula C157H143Ir6N10O10-5 and a molecular weight of 3483.23 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline
• PubChem CID: 158615946
• Molecular Formula: C157H143Ir6N10O10-5
• Molecular Weight: 3483.23 g/mol
• Exact Mass: 3485.88
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc2ccccc2[n+]2c1-c1ccccc1C2.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Cc1cnc2c3[c-]cc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C29H19N2.C18H16N.2C17H14N.C16H10N3.C16H12N.C15H10N.C9H16O2.4C5H8O2.6Ir/c1-19-18-30-28-24-14-12-22(20-8-4-2-5-9-20)16-26(24)27-17-23(21-10-6-3-7-11-21)13-15-25(27)29(28)31-19;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;1-12-10-13-6-3-5-9-16(13)18-11-14-7-2-4-8-15(14)17(12)18;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-6(2)8(10)5-9(11)7(3)4;4*1-4(6)3-5(2)7;;;;;;/h2-13,15-18H,1H3;4-9,11H,1-3H3;2-10H,11H2,1H3;3-10H,1-2H3;1-10H;2-5,7-11H,1H3;1-7,9-11H;5-7,10H,1-4H3;4*3,6H,1-2H3;;;;;;/q2*-1;+1;4*-1
• InChIKey: NPGCQKJTXOSCBC-UHFFFAOYSA-N
• XLogP: 37.32
• TPSA: 298.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3483.23
LogP ≤ 5	37.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline (CID 158615946) is 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc2ccccc2[n+]2c1-c1ccccc1C2.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Cc1cnc2c3[c-]cc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline?

The InChIKey is NPGCQKJTXOSCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N2.C18H16N.2C17H14N.C16H10N3.C16H12N.C15H10N.C9H16O2.4C5H8O2.6Ir/c1-19-18-30-28-24-14-12-22(20-8-4-2-5-9-20)16-26(24)27-17-23(21-10-6-3-7-11-21)13-15-25(27)29(28)31-19;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;1-12-10-13-6-3-5-9-16(13)18-11-14-7-2-4-8-15(14)17(12)18;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-6(2)8(10)5-9(11)7(3)4;4*1-4(6)3-5(2)7;;;;;;/h2-13,15-18H,1H3;4-9,11H,1-3H3;2-10H,11H2,1H3;3-10H,1-2H3;1-10H;2-5,7-11H,1H3;1-7,9-11H;5-7,10H,1-4H3;4*3,6H,1-2H3;;;;;;/q2*-1;+1;4*-1;;;;;;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline?

2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline has a molecular weight of 3483.23 g/mol, XLogP of 37.32, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline is sourced from PubChem (CID 158615946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).