2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine

C189H183Ir4N14O5-5 — CID 157208009

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine (PubChem CID 157208009) has the molecular formula C189H183Ir4N14O5-5 and a molecular weight of 3499.50 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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine.

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
• PubChem CID: 157208009
• Molecular Formula: C189H183Ir4N14O5-5
• Molecular Weight: 3499.50 g/mol
• Exact Mass: 3500.30
• 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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
• SMILES: CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc2c(oc3ccccc32)c2c1-n1ccnc1C1=C3CC=CC1=C3C2C.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.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C30H31N2.C27H22N2O.C27H25N2O.C26H21N2O.2C21H23N2.C21H22N.C11H8N.C5H8O2.4Ir/c1-17(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;1-14(2)19-13-20-16-7-4-5-10-21(16)30-26(20)23-15(3)22-17-8-6-9-18(22)24(17)27-28-11-12-29(27)25(19)23;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;1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;/h7-14,16-18H,15H2,1-6H3;4-8,10-15H,9H2,1-3H3;5-10,12-18H,1-4H3;4-5,7-16H,1-3H3;2*5-9,11-16H,1-4H3;5-9,11-12,14H,10H2,1-4H3;1-6,8-9H;3,6H,1-2H3;;;;/q+1;;6*-1
• InChIKey: NZXKTKMGIBNRLY-UHFFFAOYSA-N
• XLogP: 49.16
• TPSA: 207.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3499.50
LogP ≤ 5	49.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine?

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine (CID 157208009) 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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine.

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine?

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine is CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc2c(oc3ccccc32)c2c1-n1ccnc1C1=C3CC=CC1=C3C2C.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.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine?

The InChIKey is NZXKTKMGIBNRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2.C27H22N2O.C27H25N2O.C26H21N2O.2C21H23N2.C21H22N.C11H8N.C5H8O2.4Ir/c1-17(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;1-14(2)19-13-20-16-7-4-5-10-21(16)30-26(20)23-15(3)22-17-8-6-9-18(22)24(17)27-28-11-12-29(27)25(19)23;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;1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;/h7-14,16-18H,15H2,1-6H3;4-8,10-15H,9H2,1-3H3;5-10,12-18H,1-4H3;4-5,7-16H,1-3H3;2*5-9,11-16H,1-4H3;5-9,11-12,14H,10H2,1-4H3;1-6,8-9H;3,6H,1-2H3;;;;/q+1;;6*-1;;;;;.

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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine?

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine has a molecular weight of 3499.50 g/mol, XLogP of 49.16, 24 rotatable bonds, 1 hydrogen bond donors, and 18 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;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;tetrakis(iridium);14-methyl-26-propan-2-yl-17-oxa-2,5-diazaheptacyclo[13.11.0.02,6.07,12.08,13.016,24.018,23]hexacosa-1(26),3,5,7(12),8(13),9,15,18,20,22,24-undecaene;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine is sourced from PubChem (CID 157208009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).