4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)

C225H174Ir3N15OS — CID 159330830

IUPAC4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccnc(Oc4[c-]cccc4)c3)cc21.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C36H25N2.C32H32NO.C25H20N.2C23H19N2.C23H14NS.3C21H15N2.3Ir/c1-23-35(24(2)38(37-23)26-12-4-3-5-13-26)25-20-21-30-29-16-8-11-19-33(29)36(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)36;1-3-5-19-32(20-6-4-2)29-15-11-10-14-27(29)28-17-16-24(22-30(28)32)25-18-21-33-31(23-25)34-26-12-8-7-9-13-26;1-18-15-23(20-9-5-3-6-10-20)16-19(2)25(18)22-13-14-26-24(17-22)21-11-7-4-8-12-21;2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;;;/h3-12,14-22H,1-2H3;7-12,14-18,21-23H,3-6,19-20H2,1-2H3;3-11,13-17H,1-2H3;2*3-11,13-16H,1-2H3;1-6,8-15H;3*1-9,11-16H;;;/q9*-1;3*+3
InChIKeyAJHZBZBQPGMBKK-UHFFFAOYSA-N
MW3712.69 g/mol
LogP56.63
Rot. Bonds31

About 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)

4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole) (PubChem CID 159330830) has the molecular formula C225H174Ir3N15OS and a molecular weight of 3712.69 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole).

Molecular Properties

Compound Name4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)
PubChem CID159330830
Molecular FormulaC225H174Ir3N15OS
Molecular Weight3712.69 g/mol
Exact Mass3712.26
IUPAC Name4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccnc(Oc4[c-]cccc4)c3)cc21.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C36H25N2.C32H32NO.C25H20N.2C23H19N2.C23H14NS.3C21H15N2.3Ir/c1-23-35(24(2)38(37-23)26-12-4-3-5-13-26)25-20-21-30-29-16-8-11-19-33(29)36(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)36;1-3-5-19-32(20-6-4-2)29-15-11-10-14-27(29)28-17-16-24(22-30(28)32)25-18-21-33-31(23-25)34-26-12-8-7-9-13-26;1-18-15-23(20-9-5-3-6-10-20)16-19(2)25(18)22-13-14-26-24(17-22)21-11-7-4-8-12-21;2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;;;/h3-12,14-22H,1-2H3;7-12,14-18,21-23H,3-6,19-20H2,1-2H3;3-11,13-17H,1-2H3;2*3-11,13-16H,1-2H3;1-6,8-15H;3*1-9,11-16H;;;/q9*-1;3*+3
InChIKeyAJHZBZBQPGMBKK-UHFFFAOYSA-N
XLogP56.63
TPSA154.82 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003712.69
LogP ≤ 556.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole) with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;pentakis(2,5-dimethyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);pentakis(iridium(3+));2-methyl-7-[2-phenyl-5-(trideuteriomethyl)-4-pyridinyl]-[1]benzothiolo[2,3-b]pyridine;pentakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);4-naphthalen-1-yl-2-phenyl-5-(trideuteriomethyl)pyridine;4-naphthalen-2-yl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 157261291
4-Dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 157447693
4-(9,9-Dibutylfluoren-2-yl)-2-(phenoxy)pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;bis(iridium(3+));bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
CID 157922739
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;N,N-dimethyl-4-[3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-5-id-1-amine;2-(phenoxy)pyridine;bis(5-phenyl-3-(4-phenylphenyl)pyrazol-1-ide);2-phenylsulfanylpyridine;platinum
CID 158204403
4-(9,9-Dibutylfluoren-2-yl)-2-(phenoxy)pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 159691573
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;2-phenylsulfanylpyridine;tetrakis(rhodium(2+))
CID 159851169
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;2-(phenoxy)pyridine;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;2-phenylsulfanylpyridine;tris(rhodium(2+))
CID 160078701
4-Dibenzothiophen-3-yl-1-methanidyl-2-phenylpyridin-1-ium;4-(9,9-dibutylfluoren-2-yl)-1-methanidyl-2-(phenoxy)pyridin-1-ium;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium);bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
CID 160388024
3,5-Dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)
CID 161065458
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;N,N-dimethyl-4-[3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-5-id-1-amine;2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;tris(5-phenyl-3-(4-phenylphenyl)pyrazol-1-ide);2-phenylsulfanylpyridine;platinum
CID 161487524

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)?
The IUPAC name of 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole) (CID 159330830) is 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole).
What is the SMILES notation for 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)?
The canonical SMILES for 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole) is CCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccnc(Oc4[c-]cccc4)c3)cc21.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)?
The InChIKey is AJHZBZBQPGMBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N2.C32H32NO.C25H20N.2C23H19N2.C23H14NS.3C21H15N2.3Ir/c1-23-35(24(2)38(37-23)26-12-4-3-5-13-26)25-20-21-30-29-16-8-11-19-33(29)36(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)36;1-3-5-19-32(20-6-4-2)29-15-11-10-14-27(29)28-17-16-24(22-30(28)32)25-18-21-33-31(23-25)34-26-12-8-7-9-13-26;1-18-15-23(20-9-5-3-6-10-20)16-19(2)25(18)22-13-14-26-24(17-22)21-11-7-4-8-12-21;2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;;;/h3-12,14-22H,1-2H3;7-12,14-18,21-23H,3-6,19-20H2,1-2H3;3-11,13-17H,1-2H3;2*3-11,13-16H,1-2H3;1-6,8-15H;3*1-9,11-16H;;;/q9*-1;3*+3.
What are the key properties of 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole)?
4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole) has a molecular weight of 3712.69 g/mol, XLogP of 56.63, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-3-yl-2-phenylpyridine;4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;tris(iridium(3+));tris(1-phenyl-4-(4-phenylphenyl)pyrazole) is sourced from PubChem (CID 159330830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).