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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)

C139H125Ir2N11O4PtS-2 — CID 157252840

IUPAC2-(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;bis(iridium);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.[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.C12H7N2S.C5H8O2.2Ir.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;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;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;1-4,6-8H;3,6H,1-2H3;;;/q-2;+1;3*-1;;;;+2
InChIKeyWKMXHWRNGZWSON-UHFFFAOYSA-N
MW2625.18 g/mol
LogP36.17
Rot. Bonds16

About 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)

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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+) (PubChem CID 157252840) has the molecular formula C139H125Ir2N11O4PtS-2 and a molecular weight of 2625.18 g/mol. Its IUPAC name is 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+).

Molecular Properties

Compound Name2-(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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)
PubChem CID157252840
Molecular FormulaC139H125Ir2N11O4PtS-2
Molecular Weight2625.18 g/mol
Exact Mass2624.86
IUPAC Name2-(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;bis(iridium);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.[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.C12H7N2S.C5H8O2.2Ir.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;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;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;1-4,6-8H;3,6H,1-2H3;;;/q-2;+1;3*-1;;;;+2
InChIKeyWKMXHWRNGZWSON-UHFFFAOYSA-N
XLogP36.17
TPSA159.57 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.18
LogP ≤ 536.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

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 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+) with MolForge

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Related Compounds

CID 157442309
CID 157442309
CID 157652393
CID 157652393
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 159415504
CID 159485479
CID 159485479
CID 159617407
CID 159617407
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675
CID 161163738
CID 161163738
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));bis(9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide);bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 161792284
CID 161814794
CID 161814794
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
CID 59359313
CID 59359313
14-[3-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaene;iridium;4-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-1-phenylpyrazole
CID 59359476

Frequently Asked Questions

What is the IUPAC name of 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
The IUPAC name of 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+) (CID 157252840) is 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+).
What is the SMILES notation for 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
The canonical SMILES for 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;bis(iridium);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.[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 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
The InChIKey is WKMXHWRNGZWSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O.C34H35N2.C21H23N2.C17H10NO.C12H7N2S.C5H8O2.2Ir.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;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;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;1-4,6-8H;3,6H,1-2H3;;;/q-2;+1;3*-1;;;;+2.
What are the key properties of 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+)?
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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+) has a molecular weight of 2625.18 g/mol, XLogP of 36.17, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum(2+) is sourced from PubChem (CID 157252840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).