5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)

C71H48F6IrN3O — CID 165149351

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)
SMILESFC(F)(F)C(Cc1cccc(-c2ccc3c(c2)oc2cc(-c4cc(-c5[c-]cccc5)ncc4-c4ccccc4-c4cc(CCc5ccc(-c6[c-]cccc6)nc5)cc(CCc5ccc(-c6[c-]cccc6)nc5)c4)ccc23)c1)C(F)(F)F.[Ir+3]
InChIInChI=1S/C71H48F6N3O.Ir/c72-70(73,74)69(71(75,76)77)39-48-13-12-20-54(36-48)55-29-31-60-61-32-30-56(41-68(61)81-67(60)40-55)62-42-66(53-18-8-3-9-19-53)80-45-63(62)59-22-11-10-21-58(59)57-37-49(25-23-46-27-33-64(78-43-46)51-14-4-1-5-15-51)35-50(38-57)26-24-47-28-34-65(79-44-47)52-16-6-2-7-17-52;/h1-14,16,18,20-22,27-38,40-45,69H,23-26,39H2;/q-3;+3
InChIKeyNHBYYIRIAQDUCR-UHFFFAOYSA-N
MW1265.39 g/mol
LogP18.69
Rot. Bonds15

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+) (PubChem CID 165149351) has the molecular formula C71H48F6IrN3O and a molecular weight of 1265.39 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+).

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)
PubChem CID165149351
Molecular FormulaC71H48F6IrN3O
Molecular Weight1265.39 g/mol
Exact Mass1265.33
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)
SMILESFC(F)(F)C(Cc1cccc(-c2ccc3c(c2)oc2cc(-c4cc(-c5[c-]cccc5)ncc4-c4ccccc4-c4cc(CCc5ccc(-c6[c-]cccc6)nc5)cc(CCc5ccc(-c6[c-]cccc6)nc5)c4)ccc23)c1)C(F)(F)F.[Ir+3]
InChIInChI=1S/C71H48F6N3O.Ir/c72-70(73,74)69(71(75,76)77)39-48-13-12-20-54(36-48)55-29-31-60-61-32-30-56(41-68(61)81-67(60)40-55)62-42-66(53-18-8-3-9-19-53)80-45-63(62)59-22-11-10-21-58(59)57-37-49(25-23-46-27-33-64(78-43-46)51-14-4-1-5-15-51)35-50(38-57)26-24-47-28-34-65(79-44-47)52-16-6-2-7-17-52;/h1-14,16,18,20-22,27-38,40-45,69H,23-26,39H2;/q-3;+3
InChIKeyNHBYYIRIAQDUCR-UHFFFAOYSA-N
XLogP18.69
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.39
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+) 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

N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
CID 87301911
Methyl 2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]pyridine-4-carboxylate;2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]pyridine-4-carboxylic acid
CID 87305542
8-[3-(4-Cyclopentylphenyl)-5-(2-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 117854475
4-(4-Fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123192424
5-[4-Fluoro-3-(2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123195423
4-[4-Fluoro-3,5-di(propan-2-yl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123231826
4-(4-Fluoro-3-propan-2-ylphenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123267430
4-[4-Fluoro-3-(2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123658201
4-(4-Fluoro-3-prop-2-enylphenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123803089
5-(4-Fluoro-3-propan-2-ylphenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123894791
5-(4-Fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123895174
5-[4-Fluoro-3,5-di(propan-2-yl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123980678

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+) (CID 165149351) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+).
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+) is FC(F)(F)C(Cc1cccc(-c2ccc3c(c2)oc2cc(-c4cc(-c5[c-]cccc5)ncc4-c4ccccc4-c4cc(CCc5ccc(-c6[c-]cccc6)nc5)cc(CCc5ccc(-c6[c-]cccc6)nc5)c4)ccc23)c1)C(F)(F)F.[Ir+3].
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)?
The InChIKey is NHBYYIRIAQDUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48F6N3O.Ir/c72-70(73,74)69(71(75,76)77)39-48-13-12-20-54(36-48)55-29-31-60-61-32-30-56(41-68(61)81-67(60)40-55)62-42-66(53-18-8-3-9-19-53)80-45-63(62)59-22-11-10-21-58(59)57-37-49(25-23-46-27-33-64(78-43-46)51-14-4-1-5-15-51)35-50(38-57)26-24-47-28-34-65(79-44-47)52-16-6-2-7-17-52;/h1-14,16,18,20-22,27-38,40-45,69H,23-26,39H2;/q-3;+3.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+)?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+) has a molecular weight of 1265.39 g/mol, XLogP of 18.69, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[7-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]dibenzofuran-3-yl]pyridine;iridium(3+) is sourced from PubChem (CID 165149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).