iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine

C58H41F8IrN3O-2 — CID 165383787

IUPACiridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
SMILESCC(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2c4c(ccc23)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nc2ccccc21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C47H33F8N2O.C11H8N.Ir/c1-25(2)34-23-30(29-19-17-28(18-20-29)27-11-6-5-7-12-27)24-35(26(3)4)40(34)57-38-16-9-8-15-37(38)56-43(57)33-14-10-13-31-32-21-22-36-39(42(32)58-41(31)33)45(50,51)47(54,55)46(52,53)44(36,48)49;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-13,15-26H,1-4H3;1-6,8-9H;/q2*-1;
InChIKeyGBKKWBRUCYKCLT-UHFFFAOYSA-N
MW1140.19 g/mol
LogP16.99
Rot. Bonds7

About iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine

iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine (PubChem CID 165383787) has the molecular formula C58H41F8IrN3O-2 and a molecular weight of 1140.19 g/mol. Its IUPAC name is iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
PubChem CID165383787
Molecular FormulaC58H41F8IrN3O-2
Molecular Weight1140.19 g/mol
Exact Mass1140.28
IUPAC Nameiridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
SMILESCC(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2c4c(ccc23)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nc2ccccc21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C47H33F8N2O.C11H8N.Ir/c1-25(2)34-23-30(29-19-17-28(18-20-29)27-11-6-5-7-12-27)24-35(26(3)4)40(34)57-38-16-9-8-15-37(38)56-43(57)33-14-10-13-31-32-21-22-36-39(42(32)58-41(31)33)45(50,51)47(54,55)46(52,53)44(36,48)49;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-13,15-26H,1-4H3;1-6,8-9H;/q2*-1;
InChIKeyGBKKWBRUCYKCLT-UHFFFAOYSA-N
XLogP16.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.19
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine 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

2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162655764
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162643142
1-Naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone bromide
CID 71726676
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162653771
46-Ethyl-25,40-dimethoxy-22,29,46-triaza-19,32-diazonianonacyclo[32.2.2.214,17.224,27.13,7.16,9.18,12.119,22.129,32]heptatetraconta-1(36),3(47),4,6,8,10,12(45),14(44),15,17(43),19(42),20,24(41),25,27(40),32(39),34,37-octadecaene-2,13-dione dibromide
CID 44578351
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 59358466
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
CID 59359359
5-[1-Biphenyl-4-ylmethyl-4,6-difluoro-5-(1-methyl-1H-indol-5-yl)-1H-benzoimidazol-2-yloxy]-2-methyl-benzoic acid methyl ester
CID 68573967
[5-(4,5-diphenyl-1H-imidazol-2-yl)-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 89700768
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276735
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276741
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276746

Frequently Asked Questions

What is the IUPAC name of iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine?
The IUPAC name of iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine (CID 165383787) is iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine.
What is the SMILES notation for iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine?
The canonical SMILES for iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine is CC(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2c4c(ccc23)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nc2ccccc21.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine?
The InChIKey is GBKKWBRUCYKCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33F8N2O.C11H8N.Ir/c1-25(2)34-23-30(29-19-17-28(18-20-29)27-11-6-5-7-12-27)24-35(26(3)4)40(34)57-38-16-9-8-15-37(38)56-43(57)33-14-10-13-31-32-21-22-36-39(42(32)58-41(31)33)45(50,51)47(54,55)46(52,53)44(36,48)49;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-13,15-26H,1-4H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine?
iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine has a molecular weight of 1140.19 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine is sourced from PubChem (CID 165383787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).