2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine

C137H132Ir5N7O5S-7 — CID 157343732

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1ccccn1
InChIInChI=1S/C21H22N.C18H12NO.C18H14N.C17H10NS.C17H14N.2C12H10N.2C11H20O2.5Ir/c1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h5-9,11-12,14H,10H2,1-4H3;2-6,8-11H,1H3;2-10,12-13H,1H3;1-7,9-11H;3-10H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;2*7,12H,1-6H3;;;;;/q7*-1;;;;;;;
InChIKeyVLDBPMCKPSCVBP-UHFFFAOYSA-N
MW2949.76 g/mol
LogP35.91
Rot. Bonds12

About 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine

2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine (PubChem CID 157343732) has the molecular formula C137H132Ir5N7O5S-7 and a molecular weight of 2949.76 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
PubChem CID157343732
Molecular FormulaC137H132Ir5N7O5S-7
Molecular Weight2949.76 g/mol
Exact Mass2951.82
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1ccccn1
InChIInChI=1S/C21H22N.C18H12NO.C18H14N.C17H10NS.C17H14N.2C12H10N.2C11H20O2.5Ir/c1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h5-9,11-12,14H,10H2,1-4H3;2-6,8-11H,1H3;2-10,12-13H,1H3;1-7,9-11H;3-10H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;2*7,12H,1-6H3;;;;;/q7*-1;;;;;;;
InChIKeyVLDBPMCKPSCVBP-UHFFFAOYSA-N
XLogP35.91
TPSA177.97 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002949.76
LogP ≤ 535.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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'}

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine with MolForge

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Related Compounds

CID 157225149
CID 157225149
tert-butylbenzene;bis(7-tert-butyl-1-benzothiophene);bis(1-tert-butyl-3,5-bis(trifluoromethyl)benzene);tert-butyl-[(4E)-4-[3-[4-[tert-butyl(naphthalen-1-yl)amino]-2-hydroxyphenyl]-2-methyl-4-oxocyclobut-2-en-1-ylidene]-3-hydroxycyclohexa-2,5-dien-1-ylidene]-naphthalen-1-ylazanium;bis(1-tert-butyl-3,5-dihexylbenzene);bis(2-tert-butylfuran);bis(2-tert-butyl-1-methylpyrrole);bis(1-tert-butylnaphthalene);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);bis(8-tert-butylquinoline);tris(2-tert-butylthiophene)
CID 157628177
CID 159961606
CID 159961606
CID 160035174
CID 160035174
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one
CID 161020065
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;pentakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4,7-bis(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163905677
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
8-[3-[(Z)-1-[3-ethenyl-7-[6-[6-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]-1-benzofuran-2-yl]prop-1-enyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144536754
1-(4-Methyl-3,4-dihydrodibenzofuran-1-yl)-6-[4-[4-(3-methyl-2,6-dipyridin-2-yl-2,3-dihydropyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 146489169
2-dibenzofuran-4-yl-6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]phenyl]-5-methyl-6H-[1]benzothiolo[2,3-c]quinoline
CID 146489253
5-[6-[3-([1]Benzothiolo[3,2-b]pyridin-6-yl)-5-(10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-12-yl)phenyl]-[1]benzothiolo[3,2-b]pyridin-3-yl]-12-[3-[7-[12-(4-carbazol-9-ylphenyl)-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaen-6-yl]dibenzofuran-2-yl]-5-dibenzofuran-2-ylphenyl]-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 147375257

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine (CID 157343732) is 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
The InChIKey is VLDBPMCKPSCVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N.C18H12NO.C18H14N.C17H10NS.C17H14N.2C12H10N.2C11H20O2.5Ir/c1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h5-9,11-12,14H,10H2,1-4H3;2-6,8-11H,1H3;2-10,12-13H,1H3;1-7,9-11H;3-10H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;2*7,12H,1-6H3;;;;;/q7*-1;;;;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine has a molecular weight of 2949.76 g/mol, XLogP of 35.91, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine is sourced from PubChem (CID 157343732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).