2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline

C102H63F5Ir5N5-5 — CID 158413781

IUPAC2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline
SMILESCc1cc(-c2cc3c(ccc4ccccc43)cn2)[c-]cc1F.Cc1cccc2c1ccc1cnc(-c3[c-]cccc3)cc12.FC(F)(F)c1c[c-]c(-c2cc3c(ccc4ccccc43)cn2)cc1.Fc1ccc[c-]c1-c1cc2c(ccc3ccccc32)cn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1cc2c(ccc3ccccc32)cn1
InChIInChI=1S/C23H14N.C20H11F3N.C20H13FN.C20H14N.C19H11FN.5Ir/c1-2-7-18-13-19(11-9-16(18)5-1)23-14-22-20(15-24-23)12-10-17-6-3-4-8-21(17)22;21-20(22,23)16-9-7-14(8-10-16)19-11-18-15(12-24-19)6-5-13-3-1-2-4-17(13)18;1-13-10-15(8-9-19(13)21)20-11-18-16(12-22-20)7-6-14-4-2-3-5-17(14)18;1-14-6-5-9-18-17(14)11-10-16-13-21-20(12-19(16)18)15-7-3-2-4-8-15;20-18-8-4-3-7-16(18)19-11-17-14(12-21-19)10-9-13-5-1-2-6-15(13)17;;;;;/h1-10,12-15H;1-7,9-12H;2-7,9-12H,1H3;2-7,9-13H,1H3;1-6,8-12H;;;;;/q5*-1;;;;;
InChIKeyMGDTTZPUHUULCS-UHFFFAOYSA-N
MW2414.74 g/mol
LogP27.33
Rot. Bonds5

About 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline

2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline (PubChem CID 158413781) has the molecular formula C102H63F5Ir5N5-5 and a molecular weight of 2414.74 g/mol. Its IUPAC name is 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline.

Molecular Properties

Compound Name2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline
PubChem CID158413781
Molecular FormulaC102H63F5Ir5N5-5
Molecular Weight2414.74 g/mol
Exact Mass2417.32
IUPAC Name2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline
SMILESCc1cc(-c2cc3c(ccc4ccccc43)cn2)[c-]cc1F.Cc1cccc2c1ccc1cnc(-c3[c-]cccc3)cc12.FC(F)(F)c1c[c-]c(-c2cc3c(ccc4ccccc43)cn2)cc1.Fc1ccc[c-]c1-c1cc2c(ccc3ccccc32)cn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1cc2c(ccc3ccccc32)cn1
InChIInChI=1S/C23H14N.C20H11F3N.C20H13FN.C20H14N.C19H11FN.5Ir/c1-2-7-18-13-19(11-9-16(18)5-1)23-14-22-20(15-24-23)12-10-17-6-3-4-8-21(17)22;21-20(22,23)16-9-7-14(8-10-16)19-11-18-15(12-24-19)6-5-13-3-1-2-4-17(13)18;1-13-10-15(8-9-19(13)21)20-11-18-16(12-22-20)7-6-14-4-2-3-5-17(14)18;1-14-6-5-9-18-17(14)11-10-16-13-21-20(12-19(16)18)15-7-3-2-4-8-15;20-18-8-4-3-7-16(18)19-11-17-14(12-21-19)10-9-13-5-1-2-6-15(13)17;;;;;/h1-10,12-15H;1-7,9-12H;2-7,9-12H,1H3;2-7,9-13H,1H3;1-6,8-12H;;;;;/q5*-1;;;;;
InChIKeyMGDTTZPUHUULCS-UHFFFAOYSA-N
XLogP27.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002414.74
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline 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

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
Gross107 (Sudhakar)
CID 139174614
5-[4-(Trifluoromethyl)phenyl]benzo[f]quinoline
CID 168328056
CID 168352482
CID 168352482
Iridium(3+);tris(2-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)pyridine)
CID 22184120
Bis(1-[3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]benzene-6-id-1-yl]isoquinoline);iridium(3+);1-(3-methylbenzene-6-id-1-yl)isoquinoline
CID 58233432

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline?
The IUPAC name of 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline (CID 158413781) is 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline.
What is the SMILES notation for 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline?
The canonical SMILES for 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline is Cc1cc(-c2cc3c(ccc4ccccc43)cn2)[c-]cc1F.Cc1cccc2c1ccc1cnc(-c3[c-]cccc3)cc12.FC(F)(F)c1c[c-]c(-c2cc3c(ccc4ccccc43)cn2)cc1.Fc1ccc[c-]c1-c1cc2c(ccc3ccccc32)cn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1cc2c(ccc3ccccc32)cn1.
What is the InChIKey of 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline?
The InChIKey is MGDTTZPUHUULCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N.C20H11F3N.C20H13FN.C20H14N.C19H11FN.5Ir/c1-2-7-18-13-19(11-9-16(18)5-1)23-14-22-20(15-24-23)12-10-17-6-3-4-8-21(17)22;21-20(22,23)16-9-7-14(8-10-16)19-11-18-15(12-24-19)6-5-13-3-1-2-4-17(13)18;1-13-10-15(8-9-19(13)21)20-11-18-16(12-22-20)7-6-14-4-2-3-5-17(14)18;1-14-6-5-9-18-17(14)11-10-16-13-21-20(12-19(16)18)15-7-3-2-4-8-15;20-18-8-4-3-7-16(18)19-11-17-14(12-21-19)10-9-13-5-1-2-6-15(13)17;;;;;/h1-10,12-15H;1-7,9-12H;2-7,9-12H,1H3;2-7,9-13H,1H3;1-6,8-12H;;;;;/q5*-1;;;;;.
What are the key properties of 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline?
2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline has a molecular weight of 2414.74 g/mol, XLogP of 27.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;2-(4-fluoro-3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;pentakis(iridium);7-methyl-2-phenylbenzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzo[f]isoquinoline is sourced from PubChem (CID 158413781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).