bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C156H96F9Ir3N18O4 — CID 158215701

About bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 158215701) has the molecular formula C156H96F9Ir3N18O4 and a molecular weight of 3034.24 g/mol. Its IUPAC name is bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

• Compound Name: bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 158215701
• Molecular Formula: C156H96F9Ir3N18O4
• Molecular Weight: 3034.24 g/mol
• Exact Mass: 3034.66
• IUPAC Name: bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• SMILES: Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1
• InChI: InChI=1S/2C22H15N2.2C22H14NO.2C21H12NO.2C9H5F3N3.C8H4F3N4.3Ir/c2*1-24-21-12-5-3-8-16(21)17-9-6-10-18(22(17)24)20-14-13-15-7-2-4-11-19(15)23-20;2*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;2*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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;;;/h2*2-9,11-14H,1H3;2*2-9,11-13H,1H3;2*1-8,10-13H;2*1-5H;1-4H;;;/q9*-1;3*+3
• InChIKey: NBSYNNZSJDFPGQ-UHFFFAOYSA-N
• XLogP: 39.46
• TPSA: 272.29 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3034.24
LogP ≤ 5	39.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 158215701) is bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

What is the SMILES notation for bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The canonical SMILES for bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.

What is the InChIKey of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The InChIKey is NBSYNNZSJDFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15N2.2C22H14NO.2C21H12NO.2C9H5F3N3.C8H4F3N4.3Ir/c2*1-24-21-12-5-3-8-16(21)17-9-6-10-18(22(17)24)20-14-13-15-7-2-4-11-19(15)23-20;2*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;2*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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;;;/h2*2-9,11-14H,1H3;2*2-9,11-13H,1H3;2*1-8,10-13H;2*1-5H;1-4H;;;/q9*-1;3*+3.

What are the key properties of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3034.24 g/mol, XLogP of 39.46, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 158215701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).