2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))

C207H199Ir2N16O4Pt2S- — CID 157152492

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
SMILESCC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[n+]1ccccc1-c1[c-]ccc2c1oc1ccccc12.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].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1
InChIInChI=1S/C67H71N5.C50H42N4O.C34H35N2.C21H23N2.C18H13NO.C12H7N2S.C5H8O2.2Ir.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;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-19-12-5-4-10-16(19)15-9-6-8-14-13-7-2-3-11-17(13)20-18(14)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;;;;/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;5-9,11-16H,1-4H3;2-8,10-12H,1H3;1-4,6-8H;3,6H,1-2H3;;;;/q2*-2;+1;-1;;-1;;;;2*+2
InChIKeyNITPCRLRZQZKTA-UHFFFAOYSA-N
MW3781.63 g/mol
LogP54.22
Rot. Bonds28

About 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))

2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) (PubChem CID 157152492) has the molecular formula C207H199Ir2N16O4Pt2S- and a molecular weight of 3781.63 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)).

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
PubChem CID157152492
Molecular FormulaC207H199Ir2N16O4Pt2S-
Molecular Weight3781.63 g/mol
Exact Mass3780.41
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
SMILESCC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[n+]1ccccc1-c1[c-]ccc2c1oc1ccccc12.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].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1
InChIInChI=1S/C67H71N5.C50H42N4O.C34H35N2.C21H23N2.C18H13NO.C12H7N2S.C5H8O2.2Ir.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;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-19-12-5-4-10-16(19)15-9-6-8-14-13-7-2-3-11-17(13)20-18(14)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;;;;/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;5-9,11-16H,1-4H3;2-8,10-12H,1H3;1-4,6-8H;3,6H,1-2H3;;;;/q2*-2;+1;-1;;-1;;;;2*+2
InChIKeyNITPCRLRZQZKTA-UHFFFAOYSA-N
XLogP54.22
TPSA189.44 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003781.63
LogP ≤ 554.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

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)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) with MolForge

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Related Compounds

CID 157442309
CID 157442309
CID 157743742
CID 157743742
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 160495221
CID 160495221
CID 161163738
CID 161163738
CID 161814794
CID 161814794
CID 59358842
CID 59358842
CID 59359312
CID 59359312
CID 59359313
CID 59359313

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) (CID 157152492) is 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)).
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) is CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[n+]1ccccc1-c1[c-]ccc2c1oc1ccccc12.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].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[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-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
The InChIKey is NITPCRLRZQZKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71N5.C50H42N4O.C34H35N2.C21H23N2.C18H13NO.C12H7N2S.C5H8O2.2Ir.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;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-19-12-5-4-10-16(19)15-9-6-8-14-13-7-2-3-11-17(13)20-18(14)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;;;;/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;5-9,11-16H,1-4H3;2-8,10-12H,1H3;1-4,6-8H;3,6H,1-2H3;;;;/q2*-2;+1;-1;;-1;;;;2*+2.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))?
2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) has a molecular weight of 3781.63 g/mol, XLogP of 54.22, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+)) is sourced from PubChem (CID 157152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).