1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)

C166H147Ir3N15O5PtS-2 — CID 159467909

IUPAC1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)
SMILESCC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[n+]1ccn2c1Cc1ccccc1-2.Cn1[c-][n+](-c2[c-]ccc3c2oc2ccccc23)cc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1
InChIInChI=1S/C50H42N4O.C34H35N2.C21H23N2.C17H10NO.C16H11N2O.C12H7N2S.C11H11N2.C5H8O2.3Ir.Pt/c1-3-14-33(15-4-1)37-20-13-21-38(34-16-5-2-6-17-34)49(37)47-32-52-50-43-30-35(25-27-39(43)40-18-7-10-23-45(40)54(47)50)55-36-26-28-42-41-19-8-9-22-44(41)53(46(42)31-36)48-24-11-12-29-51-48;1-3-11-23(12-4-1)26-17-10-18-27(24-13-5-2-6-14-24)33(26)31-22-35-21-25-15-9-19-29-28-16-7-8-20-30(28)36(31)34(35)32(25)29;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;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;1-4(6)3-5(2)7;;;;/h7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;5-9,11-16H,1-4H3;1-7,9-11H;2-6,8-10H,1H3;1-4,6-8H;2-7H,8H2,1H3;3,6H,1-2H3;;;;/q-2;+1;4*-1;+1;;;;;+2
InChIKeyJDRSUFQAIXAGHY-UHFFFAOYSA-N
MW3235.90 g/mol
LogP40.17
Rot. Bonds17

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+) (PubChem CID 159467909) has the molecular formula C166H147Ir3N15O5PtS-2 and a molecular weight of 3235.90 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+).

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)
PubChem CID159467909
Molecular FormulaC166H147Ir3N15O5PtS-2
Molecular Weight3235.90 g/mol
Exact Mass3236.00
IUPAC Name1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)
SMILESCC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[n+]1ccn2c1Cc1ccccc1-2.Cn1[c-][n+](-c2[c-]ccc3c2oc2ccccc23)cc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1
InChIInChI=1S/C50H42N4O.C34H35N2.C21H23N2.C17H10NO.C16H11N2O.C12H7N2S.C11H11N2.C5H8O2.3Ir.Pt/c1-3-14-33(15-4-1)37-20-13-21-38(34-16-5-2-6-17-34)49(37)47-32-52-50-43-30-35(25-27-39(43)40-18-7-10-23-45(40)54(47)50)55-36-26-28-42-41-19-8-9-22-44(41)53(46(42)31-36)48-24-11-12-29-51-48;1-3-11-23(12-4-1)26-17-10-18-27(24-13-5-2-6-14-24)33(26)31-22-35-21-25-15-9-19-29-28-16-7-8-20-30(28)36(31)34(35)32(25)29;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;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;1-4(6)3-5(2)7;;;;/h7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;5-9,11-16H,1-4H3;1-7,9-11H;2-6,8-10H,1H3;1-4,6-8H;2-7H,8H2,1H3;3,6H,1-2H3;;;;/q-2;+1;4*-1;+1;;;;;+2
InChIKeyJDRSUFQAIXAGHY-UHFFFAOYSA-N
XLogP40.17
TPSA190.33 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003235.90
LogP ≤ 540.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

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'}

Analyze 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+) (CID 159467909) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+).
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+) is CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[n+]1ccn2c1Cc1ccccc1-2.Cn1[c-][n+](-c2[c-]ccc3c2oc2ccccc23)cc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1.
What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
The InChIKey is JDRSUFQAIXAGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O.C34H35N2.C21H23N2.C17H10NO.C16H11N2O.C12H7N2S.C11H11N2.C5H8O2.3Ir.Pt/c1-3-14-33(15-4-1)37-20-13-21-38(34-16-5-2-6-17-34)49(37)47-32-52-50-43-30-35(25-27-39(43)40-18-7-10-23-45(40)54(47)50)55-36-26-28-42-41-19-8-9-22-44(41)53(46(42)31-36)48-24-11-12-29-51-48;1-3-11-23(12-4-1)26-17-10-18-27(24-13-5-2-6-14-24)33(26)31-22-35-21-25-15-9-19-29-28-16-7-8-20-30(28)36(31)34(35)32(25)29;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;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;1-4(6)3-5(2)7;;;;/h7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;5-9,11-16H,1-4H3;1-7,9-11H;2-6,8-10H,1H3;1-4,6-8H;2-7H,8H2,1H3;3,6H,1-2H3;;;;/q-2;+1;4*-1;+1;;;;;+2.
What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+) has a molecular weight of 3235.90 g/mol, XLogP of 40.17, 17 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-1-ium-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-4H-imidazo[1,2-a]indol-3-ium;4-phenylthieno[2,3-d]pyrimidine;platinum(2+) is sourced from PubChem (CID 159467909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).