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

C157H100F9Ir3N20O4S — CID 159963756

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

2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 159963756) has the molecular formula C157H100F9Ir3N20O4S and a molecular weight of 3110.36 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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: 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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: 159963756
• Molecular Formula: C157H100F9Ir3N20O4S
• Molecular Weight: 3110.36 g/mol
• Exact Mass: 3110.67
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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-]ccc3c2S(=O)(=O)c2ccccc2-3)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c4ccccc4n(C)c23)nc2ccccc12.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.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/C23H17N2.2C22H15N2.C22H14NO2S.C22H14NO.C21H12NO.C9H5F3N3.2C8H4F3N4.3Ir/c1-15-14-21(24-20-12-5-3-8-16(15)20)19-11-7-10-18-17-9-4-6-13-22(17)25(2)23(18)19;2*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;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)26(24,25)22(17)18;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;;;/h3-10,12-14H,1-2H3;2*2-9,11-14H,1H3;2-9,11-13H,1H3;2-9,11-13H,1H3;1-8,10-13H;1-5H;2*1-4H;;;/q9*-1;3*+3
• InChIKey: PVHASLRYCFFYBN-UHFFFAOYSA-N
• XLogP: 37.83
• TPSA: 297.97 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3110.36
LogP ≤ 5	37.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 159963756) is 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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-]ccc3c2S(=O)(=O)c2ccccc2-3)nc2ccccc12.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3c4ccccc4n(C)c23)nc2ccccc12.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.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 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 PVHASLRYCFFYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2.2C22H15N2.C22H14NO2S.C22H14NO.C21H12NO.C9H5F3N3.2C8H4F3N4.3Ir/c1-15-14-21(24-20-12-5-3-8-16(15)20)19-11-7-10-18-17-9-4-6-13-22(17)25(2)23(18)19;2*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;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)26(24,25)22(17)18;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;;;/h3-10,12-14H,1-2H3;2*2-9,11-14H,1H3;2-9,11-13H,1H3;2-9,11-13H,1H3;1-8,10-13H;1-5H;2*1-4H;;;/q9*-1;3*+3.

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

2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 3110.36 g/mol, XLogP of 37.83, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 159963756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).