2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))

C316H308Ir4N25O8Pt2S-5 — CID 159806060

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
SMILESC.CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2ccnc2-c2[c-]c(N(c3[c-]c(-c4nccn4-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)ccc3)c3ccccc3)ccc2)c(C2CCCCC2)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1
InChIInChI=1S/C67H71N5.C50H42N4O.C34H35N2.C31H27N2O.C28H27N2.C21H23N2.C17H14N2O.C17H10NO.C12H7N2S.C11H12N2.C11H8N.C11H20O2.C5H8O2.CH4.4Ir.2Pt/c1-48-42-60(50-24-10-3-11-25-50)64(61(43-48)51-26-12-4-13-27-51)70-40-38-68-66(70)54-32-20-36-58(44-54)72(57-34-18-7-19-35-57)59-37-21-33-55(45-59)67-69-39-41-71(67)65-62(52-28-14-5-15-29-52)46-56(49-22-8-2-9-23-49)47-63(65)53-30-16-6-17-31-53;1-3-14-33(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;1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;;;/h2,7-9,18-23,32-43,46-47,50-53H,3-6,10-17,24-31H2,1H3;7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;5-9,11-16H,1-4H3;2-9,15H,10H2,1H3;1-7,9-11H;1-4,6-8H;2-7,11H,8H2,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;1H4;;;;;;/q2*-2;+1;3*-1;;2*-1;;-1;;;;;;;;2*+2
InChIKeyOOQOWJUKXVJWIP-UHFFFAOYSA-N
MW5775.20 g/mol
LogP82.31
Rot. Bonds41

About 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))

2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) (PubChem CID 159806060) has the molecular formula C316H308Ir4N25O8Pt2S-5 and a molecular weight of 5775.20 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)).

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
PubChem CID159806060
Molecular FormulaC316H308Ir4N25O8Pt2S-5
Molecular Weight5775.20 g/mol
Exact Mass5774.20
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
SMILESC.CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2ccnc2-c2[c-]c(N(c3[c-]c(-c4nccn4-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)ccc3)c3ccccc3)ccc2)c(C2CCCCC2)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1
InChIInChI=1S/C67H71N5.C50H42N4O.C34H35N2.C31H27N2O.C28H27N2.C21H23N2.C17H14N2O.C17H10NO.C12H7N2S.C11H12N2.C11H8N.C11H20O2.C5H8O2.CH4.4Ir.2Pt/c1-48-42-60(50-24-10-3-11-25-50)64(61(43-48)51-26-12-4-13-27-51)70-40-38-68-66(70)54-32-20-36-58(44-54)72(57-34-18-7-19-35-57)59-37-21-33-55(45-59)67-69-39-41-71(67)65-62(52-28-14-5-15-29-52)46-56(49-22-8-2-9-23-49)47-63(65)53-30-16-6-17-31-53;1-3-14-33(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;1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;;;/h2,7-9,18-23,32-43,46-47,50-53H,3-6,10-17,24-31H2,1H3;7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;5-9,11-16H,1-4H3;2-9,15H,10H2,1H3;1-7,9-11H;1-4,6-8H;2-7,11H,8H2,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;1H4;;;;;;/q2*-2;+1;3*-1;;2*-1;;-1;;;;;;;;2*+2
InChIKeyOOQOWJUKXVJWIP-UHFFFAOYSA-N
XLogP82.31
TPSA331.48 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms356
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005775.20
LogP ≤ 582.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) with MolForge

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What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) (CID 159806060) is 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)).
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) is C.CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2ccnc2-c2[c-]c(N(c3[c-]c(-c4nccn4-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)ccc3)c3ccccc3)ccc2)c(C2CCCCC2)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
The InChIKey is OOQOWJUKXVJWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71N5.C50H42N4O.C34H35N2.C31H27N2O.C28H27N2.C21H23N2.C17H14N2O.C17H10NO.C12H7N2S.C11H12N2.C11H8N.C11H20O2.C5H8O2.CH4.4Ir.2Pt/c1-48-42-60(50-24-10-3-11-25-50)64(61(43-48)51-26-12-4-13-27-51)70-40-38-68-66(70)54-32-20-36-58(44-54)72(57-34-18-7-19-35-57)59-37-21-33-55(45-59)67-69-39-41-71(67)65-62(52-28-14-5-15-29-52)46-56(49-22-8-2-9-23-49)47-63(65)53-30-16-6-17-31-53;1-3-14-33(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;1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;;;/h2,7-9,18-23,32-43,46-47,50-53H,3-6,10-17,24-31H2,1H3;7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;5-9,11-16H,1-4H3;2-9,15H,10H2,1H3;1-7,9-11H;1-4,6-8H;2-7,11H,8H2,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;1H4;;;;;;/q2*-2;+1;3*-1;;2*-1;;-1;;;;;;;;2*+2.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) has a molecular weight of 5775.20 g/mol, XLogP of 82.31, 41 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) is sourced from PubChem (CID 159806060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).