5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)

C62H48Ir2N2O6S2-2 — CID 161388618

IUPAC5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccc(C)c1-c1cc2cc(-c3[c-]ccc4c3oc3ccccc34)ncc2s1.[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc2cc(-c3ccccc3)sc2cn1
InChIInChI=1S/C27H18NOS.C25H14NOS.2C5H8O2.2Ir/c1-16-7-5-8-17(2)26(16)24-14-18-13-22(28-15-25(18)30-24)21-11-6-10-20-19-9-3-4-12-23(19)29-27(20)21;1-2-7-16(8-3-1)23-14-17-13-21(26-15-24(17)28-23)20-11-6-10-19-18-9-4-5-12-22(18)27-25(19)20;2*1-4(6)3-5(2)7;;/h3-10,12-15H,1-2H3;1-10,12-15H;2*3,6H,1-2H3;;/q2*-1;;;;
InChIKeyCDANRIDGZIJJRI-UHFFFAOYSA-N
MW1365.64 g/mol
LogP17.35
Rot. Bonds6

About 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)

5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium) (PubChem CID 161388618) has the molecular formula C62H48Ir2N2O6S2-2 and a molecular weight of 1365.64 g/mol. Its IUPAC name is 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium).

Molecular Properties

Compound Name5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
PubChem CID161388618
Molecular FormulaC62H48Ir2N2O6S2-2
Molecular Weight1365.64 g/mol
Exact Mass1366.22
IUPAC Name5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccc(C)c1-c1cc2cc(-c3[c-]ccc4c3oc3ccccc34)ncc2s1.[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc2cc(-c3ccccc3)sc2cn1
InChIInChI=1S/C27H18NOS.C25H14NOS.2C5H8O2.2Ir/c1-16-7-5-8-17(2)26(16)24-14-18-13-22(28-15-25(18)30-24)21-11-6-10-20-19-9-3-4-12-23(19)29-27(20)21;1-2-7-16(8-3-1)23-14-17-13-21(26-15-24(17)28-23)20-11-6-10-19-18-9-4-5-12-22(18)27-25(19)20;2*1-4(6)3-5(2)7;;/h3-10,12-15H,1-2H3;1-10,12-15H;2*3,6H,1-2H3;;/q2*-1;;;;
InChIKeyCDANRIDGZIJJRI-UHFFFAOYSA-N
XLogP17.35
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.64
LogP ≤ 517.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3H-dibenzofuran-3-id-4-yl)-2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626067
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3H-dibenzofuran-3-id-4-yl)furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626295
5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;8-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-methyl-8-(2-phenylfuro[2,3-c]pyridin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 159604453
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626403
5-(3H-dibenzofuran-3-id-4-yl)-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629230
8-[2-(2,6-dimethylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629179
6-(3H-dibenzofuran-3-id-4-yl)-2-(2,4,6-trimethylphenyl)furo[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628678
8-[2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-c]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626077
5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 161321655
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626361
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)selenopheno[3,2-c]pyridine;6-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)selenopheno[3,2-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
CID 160853543

Frequently Asked Questions

What is the IUPAC name of 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)?
The IUPAC name of 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium) (CID 161388618) is 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium).
What is the SMILES notation for 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)?
The canonical SMILES for 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccc(C)c1-c1cc2cc(-c3[c-]ccc4c3oc3ccccc34)ncc2s1.[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc2cc(-c3ccccc3)sc2cn1.
What is the InChIKey of 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)?
The InChIKey is CDANRIDGZIJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18NOS.C25H14NOS.2C5H8O2.2Ir/c1-16-7-5-8-17(2)26(16)24-14-18-13-22(28-15-25(18)30-24)21-11-6-10-20-19-9-3-4-12-23(19)29-27(20)21;1-2-7-16(8-3-1)23-14-17-13-21(26-15-24(17)28-23)20-11-6-10-19-18-9-4-5-12-22(18)27-25(19)20;2*1-4(6)3-5(2)7;;/h3-10,12-15H,1-2H3;1-10,12-15H;2*3,6H,1-2H3;;/q2*-1;;;;.
What are the key properties of 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)?
5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium) has a molecular weight of 1365.64 g/mol, XLogP of 17.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium) is sourced from PubChem (CID 161388618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).