2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)

C151H108Ir5N9O7-9 — CID 157192289

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
SMILESCC(=O)C=C(C)O.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1ccnc(-c2[c-]ccc3c2oc2c(C)cccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H16NO.C23H14NO.C19H14NO.2C17H10NO.2C12H10N.2C11H8N.C5H8O2.5Ir/c1-16-9-11-17(12-10-16)18-13-14-25-22(15-18)21-7-4-6-20-19-5-2-3-8-23(19)26-24(20)21;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-12-9-10-20-17(11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h2-6,8-15H,1H3;1-10,12-15H;3-7,9-11H,1-2H3;2*1-7,9-11H;2*2-5,7-9H,1H3;2*1-6,8-9H;3,6H,1-2H3;;;;;/q9*-1;;;;;;
InChIKeyDVMPJOJIAWQYRS-UHFFFAOYSA-N
MW3121.67 g/mol
LogP38.34
Rot. Bonds12

About 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)

2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) (PubChem CID 157192289) has the molecular formula C151H108Ir5N9O7-9 and a molecular weight of 3121.67 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine).

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
PubChem CID157192289
Molecular FormulaC151H108Ir5N9O7-9
Molecular Weight3121.67 g/mol
Exact Mass3123.66
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
SMILESCC(=O)C=C(C)O.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1ccnc(-c2[c-]ccc3c2oc2c(C)cccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H16NO.C23H14NO.C19H14NO.2C17H10NO.2C12H10N.2C11H8N.C5H8O2.5Ir/c1-16-9-11-17(12-10-16)18-13-14-25-22(15-18)21-7-4-6-20-19-5-2-3-8-23(19)26-24(20)21;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-12-9-10-20-17(11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h2-6,8-15H,1H3;1-10,12-15H;3-7,9-11H,1-2H3;2*1-7,9-11H;2*2-5,7-9H,1H3;2*1-6,8-9H;3,6H,1-2H3;;;;;/q9*-1;;;;;;
InChIKeyDVMPJOJIAWQYRS-UHFFFAOYSA-N
XLogP38.34
TPSA219.01 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003121.67
LogP ≤ 538.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) with MolForge

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Related Compounds

2-[3-Dibenzofuran-4-yl-4-[2-[3-[2-[2-dibenzofuran-4-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319870
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319985
2-[3-Dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153320037
iridium;iridium(3+);methanol;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-methyldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 157068741
bis(iridium);methanol;4-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;4-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-5-(trideuteriomethyl)pyridine);trifluoromethanesulfonic acid
CID 157070614
2-(3H-dibenzofuran-3-id-4-yl)-4-(3,4-difluorophenyl)pyridine;2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157092046
2-(7,7-dimethyl-2H-fluoreno[4,3-b][1]benzofuran-2-id-1-yl)pyridine;2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 157099393
4-[3,5-Bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
CID 157150281
5-(deuteriomethyl)-2-phenylpyridine;bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-(trideuteriomethyl)pyridine;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonic acid
CID 157156993
bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonic acid
CID 157156994
carbanide;ethanol;bis(iridium);methanol;bis(2-phenylpyridine);6-pyridin-2-yldibenzofuran-3-carbonitrile;6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile;trifluoromethanesulfonoperoxoic acid
CID 157174718
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenyl-5-propan-2-ylpyridine);trifluoromethanesulfonate
CID 157195204

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) (CID 157192289) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine).
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) is CC(=O)C=C(C)O.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1ccnc(-c2[c-]ccc3c2oc2c(C)cccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?
The InChIKey is DVMPJOJIAWQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C23H14NO.C19H14NO.2C17H10NO.2C12H10N.2C11H8N.C5H8O2.5Ir/c1-16-9-11-17(12-10-16)18-13-14-25-22(15-18)21-7-4-6-20-19-5-2-3-8-23(19)26-24(20)21;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-12-9-10-20-17(11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h2-6,8-15H,1H3;1-10,12-15H;3-7,9-11H,1-2H3;2*1-7,9-11H;2*2-5,7-9H,1H3;2*1-6,8-9H;3,6H,1-2H3;;;;;/q9*-1;;;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?
2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) has a molecular weight of 3121.67 g/mol, XLogP of 38.34, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) is sourced from PubChem (CID 157192289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).