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

C155H116Ir5N7O8S3-7 — CID 158523638

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1cccc2c1oc1c(-c3cc(-c4ccccc4)ccn3)[c-]ccc12.Cc1cccc2c1sc1c(-c3cc(-c4ccccc4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C24H16NO.C24H16NS.2C23H14NS.2C11H8N.3C5H8O2.5Ir/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;2*1-16-7-5-10-19-20-11-6-12-21(24(20)26-23(16)19)22-15-18(13-14-25-22)17-8-3-2-4-9-17;2*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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-4(6)3-5(2)7;;;;;/h2-6,8-15H,1H3;2*2-11,13-15H,1H3;2*1-10,12-15H;2*1-6,8-9H;3*3,6H,1-2H3;;;;;/q7*-1;;;;;;;;
InChIKeyLKUGCEODXXJVJP-UHFFFAOYSA-N
MW3261.96 g/mol
LogP41.10
Rot. Bonds15

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine) (PubChem CID 158523638) has the molecular formula C155H116Ir5N7O8S3-7 and a molecular weight of 3261.96 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine).

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)
PubChem CID158523638
Molecular FormulaC155H116Ir5N7O8S3-7
Molecular Weight3261.96 g/mol
Exact Mass3263.62
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1cccc2c1oc1c(-c3cc(-c4ccccc4)ccn3)[c-]ccc12.Cc1cccc2c1sc1c(-c3cc(-c4ccccc4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C24H16NO.C24H16NS.2C23H14NS.2C11H8N.3C5H8O2.5Ir/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;2*1-16-7-5-10-19-20-11-6-12-21(24(20)26-23(16)19)22-15-18(13-14-25-22)17-8-3-2-4-9-17;2*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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-4(6)3-5(2)7;;;;;/h2-6,8-15H,1H3;2*2-11,13-15H,1H3;2*1-10,12-15H;2*1-6,8-9H;3*3,6H,1-2H3;;;;;/q7*-1;;;;;;;;
InChIKeyLKUGCEODXXJVJP-UHFFFAOYSA-N
XLogP41.10
TPSA228.41 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003261.96
LogP ≤ 541.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine) (CID 158523638) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine).
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1cccc2c1oc1c(-c3cc(-c4ccccc4)ccn3)[c-]ccc12.Cc1cccc2c1sc1c(-c3cc(-c4ccccc4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)?
The InChIKey is LKUGCEODXXJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16NO.C24H16NS.2C23H14NS.2C11H8N.3C5H8O2.5Ir/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;2*1-16-7-5-10-19-20-11-6-12-21(24(20)26-23(16)19)22-15-18(13-14-25-22)17-8-3-2-4-9-17;2*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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-4(6)3-5(2)7;;;;;/h2-6,8-15H,1H3;2*2-11,13-15H,1H3;2*1-10,12-15H;2*1-6,8-9H;3*3,6H,1-2H3;;;;;/q7*-1;;;;;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)?
2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine) has a molecular weight of 3261.96 g/mol, XLogP of 41.10, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 158523638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).