pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C156H95F9Ir3N17O6 — CID 157104085

About pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 157104085) has the molecular formula C156H95F9Ir3N17O6 and a molecular weight of 3051.22 g/mol. Its IUPAC name is pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 157104085
• Molecular Formula: C156H95F9Ir3N17O6
• Molecular Weight: 3051.22 g/mol
• Exact Mass: 3051.64
• IUPAC Name: pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1
• InChI: InChI=1S/5C22H14NO.C21H12NO.C9H5F3N3.2C8H4F3N4.3Ir/c5*1-14-13-20(23-19-11-4-2-7-15(14)19)18-10-6-9-17-16-8-3-5-12-21(16)24-22(17)18;1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;;;/h5*2-9,11-13H,1H3;1-8,10-13H;1-5H;2*1-4H;;;/q9*-1;3*+3
• InChIKey: UQIKBJKEGPKPPL-UHFFFAOYSA-N
• XLogP: 40.29
• TPSA: 301.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3051.22
LogP ≤ 5	40.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 157104085) is pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.

What is the InChIKey of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is UQIKBJKEGPKPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H14NO.C21H12NO.C9H5F3N3.2C8H4F3N4.3Ir/c5*1-14-13-20(23-19-11-4-2-7-15(14)19)18-10-6-9-17-16-8-3-5-12-21(16)24-22(17)18;1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;;;/h5*2-9,11-13H,1H3;1-8,10-13H;1-5H;2*1-4H;;;/q9*-1;3*+3.

What are the key properties of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3051.22 g/mol, XLogP of 40.29, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 157104085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).