5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine

C195H196Ir3N12O5-2 — CID 159416523

IUPAC5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2cc[n+]3c2-c2cccc4c2C32c3c(cccc3N4c3ccccc3)-c3n(-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)cc[n+]32)c(C2CCCCC2)c1.Cc1cccc(-c2cc3c(ccc4ccccc43)cn2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C68H71N5.C31H27N2O.C28H27N2.C21H20N.C20H15N.C11H8N.C11H20O2.C5H8O2.3Ir/c1-46-42-56(48-24-10-3-11-25-48)64(57(43-46)49-26-12-4-13-27-49)69-38-40-71-66(69)54-34-20-36-60-62(54)68(71)63-55(35-21-37-61(63)73(60)53-32-18-7-19-33-53)67-70(39-41-72(67)68)65-58(50-28-14-5-15-29-50)44-52(47-22-8-2-9-23-47)45-59(65)51-30-16-6-17-31-51;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;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;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;;;/h2,7-9,18-23,32-45,48-51H,3-6,10-17,24-31H2,1H3;5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;4-10,12-15H,1-3H3;2-13H,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;/q+2;3*-1;;-1;;;;;
InChIKeyQHQKPXUNYPULLW-UHFFFAOYSA-N
MW3364.44 g/mol
LogP50.36
Rot. Bonds25

About 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine (PubChem CID 159416523) has the molecular formula C195H196Ir3N12O5-2 and a molecular weight of 3364.44 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine
PubChem CID159416523
Molecular FormulaC195H196Ir3N12O5-2
Molecular Weight3364.44 g/mol
Exact Mass3364.44
IUPAC Name5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2cc[n+]3c2-c2cccc4c2C32c3c(cccc3N4c3ccccc3)-c3n(-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)cc[n+]32)c(C2CCCCC2)c1.Cc1cccc(-c2cc3c(ccc4ccccc43)cn2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C68H71N5.C31H27N2O.C28H27N2.C21H20N.C20H15N.C11H8N.C11H20O2.C5H8O2.3Ir/c1-46-42-56(48-24-10-3-11-25-48)64(57(43-46)49-26-12-4-13-27-49)69-38-40-71-66(69)54-34-20-36-60-62(54)68(71)63-55(35-21-37-61(63)73(60)53-32-18-7-19-33-53)67-70(39-41-72(67)68)65-58(50-28-14-5-15-29-50)44-52(47-22-8-2-9-23-47)45-59(65)51-30-16-6-17-31-51;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;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;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;;;/h2,7-9,18-23,32-45,48-51H,3-6,10-17,24-31H2,1H3;5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;4-10,12-15H,1-3H3;2-13H,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;/q+2;3*-1;;-1;;;;;
InChIKeyQHQKPXUNYPULLW-UHFFFAOYSA-N
XLogP50.36
TPSA190.87 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003364.44
LogP ≤ 550.36
H-Bond Donors ≤ 52
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 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine with MolForge

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Related Compounds

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine
CID 159053118
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
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)
CID 158100102
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1'-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-[2,6-di(propan-2-yl)phenyl]-5,5'-spirobi[imidazo[2,1-a]isoindol-4-ium];4-hydroxypent-3-en-2-one;tetrakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
CID 162263734
5-tert-butyl-2-phenylpyridine;3-(3,5-dicyclopentylphenyl)-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium
CID 176645844
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 167387978
5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 176802793
CID 177102476
CID 177102476
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine
CID 158795556
CID 176823381
CID 176823381
CID 171461717
CID 171461717
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 158092695

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine?
The IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine (CID 159416523) is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine.
What is the SMILES notation for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine?
The canonical SMILES for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine is CC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2cc[n+]3c2-c2cccc4c2C32c3c(cccc3N4c3ccccc3)-c3n(-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)cc[n+]32)c(C2CCCCC2)c1.Cc1cccc(-c2cc3c(ccc4ccccc43)cn2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine?
The InChIKey is QHQKPXUNYPULLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H71N5.C31H27N2O.C28H27N2.C21H20N.C20H15N.C11H8N.C11H20O2.C5H8O2.3Ir/c1-46-42-56(48-24-10-3-11-25-48)64(57(43-46)49-26-12-4-13-27-49)69-38-40-71-66(69)54-34-20-36-60-62(54)68(71)63-55(35-21-37-61(63)73(60)53-32-18-7-19-33-53)67-70(39-41-72(67)68)65-58(50-28-14-5-15-29-50)44-52(47-22-8-2-9-23-47)45-59(65)51-30-16-6-17-31-51;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;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;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;;;/h2,7-9,18-23,32-45,48-51H,3-6,10-17,24-31H2,1H3;5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;4-10,12-15H,1-3H3;2-13H,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;/q+2;3*-1;;-1;;;;;.
What are the key properties of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine?
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine has a molecular weight of 3364.44 g/mol, XLogP of 50.36, 25 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,6-dicyclohexyl-4-methylphenyl)-19-(2,6-dicyclohexyl-4-phenylphenyl)-12-phenyl-5,12,19-triaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2(6),3,7(24),8,10,13,15,17(23),18(22),20-decaene;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);2-(3-methylphenyl)benzo[f]isoquinoline;2-phenylpyridine is sourced from PubChem (CID 159416523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).