2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)

C190H185Ir3N13O5Pt-4 — CID 157471937

About 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+) (PubChem CID 157471937) has the molecular formula C190H185Ir3N13O5Pt-4 and a molecular weight of 3502.38 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)
• PubChem CID: 157471937
• Molecular Formula: C190H185Ir3N13O5Pt-4
• Molecular Weight: 3502.38 g/mol
• Exact Mass: 3502.32
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)
• SMILES: C.C.CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1cc2c3cccc4c3c3n(c(-c5c(C(C)C)cccc5C(C)C)c[n+]3C4)c2cc1C.[Ir].[Ir].[Ir].[Pt+4].[c-]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]cccc3)ccc2c2ccccc21
• InChI: InChI=1S/C36H20N2O.C30H31N2.2C27H25N2O.2C21H23N2.C21H22N.C5H8O2.2CH4.3Ir.Pt/c1-3-11-25(12-4-1)37-33-17-9-7-15-29(33)31-21-19-27(23-35(31)37)39-28-20-22-32-30-16-8-10-18-34(30)38(36(32)24-28)26-13-5-2-6-14-26;1-17(2)22-10-8-11-23(18(3)4)29(22)27-16-31-15-21-9-7-12-24-25-13-19(5)20(6)14-26(25)32(27)30(31)28(21)24;1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;1-17(2)21-16-22(18(3)4)26-24(20-12-8-9-13-23(20)30-26)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;2*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-4(6)3-5(2)7;;;;;;/h1-11,13,15-22H;7-14,16-18H,15H2,1-6H3;2*5-10,12-18H,1-4H3;2*5-9,11-16H,1-4H3;5-9,11-12,14H,10H2,1-4H3;3,6H,1-2H3;2*1H4;;;;/q-4;+1;5*-1;;;;;;;+4
• InChIKey: QSYXNWAXIPLMTJ-UHFFFAOYSA-N
• XLogP: 50.26
• TPSA: 175.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3502.38
LogP ≤ 5	50.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+) (CID 157471937) is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+).

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+) is C.C.CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1cc2c3cccc4c3c3n(c(-c5c(C(C)C)cccc5C(C)C)c[n+]3C4)c2cc1C.[Ir].[Ir].[Ir].[Pt+4].[c-]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]cccc3)ccc2c2ccccc21.

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)?

The InChIKey is QSYXNWAXIPLMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2O.C30H31N2.2C27H25N2O.2C21H23N2.C21H22N.C5H8O2.2CH4.3Ir.Pt/c1-3-11-25(12-4-1)37-33-17-9-7-15-29(33)31-21-19-27(23-35(31)37)39-28-20-22-32-30-16-8-10-18-34(30)38(36(32)24-28)26-13-5-2-6-14-26;1-17(2)22-10-8-11-23(18(3)4)29(22)27-16-31-15-21-9-7-12-24-25-13-19(5)20(6)14-26(25)32(27)30(31)28(21)24;1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;1-17(2)21-16-22(18(3)4)26-24(20-12-8-9-13-23(20)30-26)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;2*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-4(6)3-5(2)7;;;;;;/h1-11,13,15-22H;7-14,16-18H,15H2,1-6H3;2*5-10,12-18H,1-4H3;2*5-9,11-16H,1-4H3;5-9,11-12,14H,10H2,1-4H3;3,6H,1-2H3;2*1H4;;;;/q-4;+1;5*-1;;;;;;;+4.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+)?

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 3502.38 g/mol, XLogP of 50.26, 27 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;3-[2,6-di(propan-2-yl)phenyl]-7,8-dimethyl-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;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;tris(iridium);methane;9-phenyl-2-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 157471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).