bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C151H93F9Ir3N25O4S — CID 159415504

About bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 159415504) has the molecular formula C151H93F9Ir3N25O4S and a molecular weight of 3101.28 g/mol. Its IUPAC name is bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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: 159415504
• Molecular Formula: C151H93F9Ir3N25O4S
• Molecular Weight: 3101.28 g/mol
• Exact Mass: 3101.63
• IUPAC Name: bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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-]ccc3c2S(=O)(=O)c2ccccc2-3)nc2ccccc12.Cc1cc(-c2[c-]ccc3c4ccccc4n(C)c23)nc2ccccc12.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4nccnc4n3)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-c1ccc2nccnc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2nccnc2n1
• InChI: InChI=1S/C23H17N2.C22H15N2.C22H14NO2S.C20H13N4.2C19H10N3O.2C9H5F3N3.C8H4F3N4.3Ir/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;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;1-24-18-8-3-2-5-13(18)14-6-4-7-15(19(14)24)16-9-10-17-20(23-16)22-12-11-21-17;2*1-2-7-17-12(4-1)13-5-3-6-14(18(13)23-17)15-8-9-16-19(22-15)21-11-10-20-16;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;;;/h3-10,12-14H,1-2H3;2-9,11-14H,1H3;2-9,11-13H,1H3;2-6,8-12H,1H3;2*1-5,7-11H;2*1-5H;1-4H;;;/q9*-1;3*+3
• InChIKey: YEAKQFZOXKCVMT-UHFFFAOYSA-N
• XLogP: 34.49
• TPSA: 362.42 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3101.28
LogP ≤ 5	34.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 159415504) is bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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-]ccc3c2S(=O)(=O)c2ccccc2-3)nc2ccccc12.Cc1cc(-c2[c-]ccc3c4ccccc4n(C)c23)nc2ccccc12.Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4nccnc4n3)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-c1ccc2nccnc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2nccnc2n1.

What is the InChIKey of bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 YEAKQFZOXKCVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2.C22H15N2.C22H14NO2S.C20H13N4.2C19H10N3O.2C9H5F3N3.C8H4F3N4.3Ir/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;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;1-24-18-8-3-2-5-13(18)14-6-4-7-15(19(14)24)16-9-10-17-20(23-16)22-12-11-21-17;2*1-2-7-17-12(4-1)13-5-3-6-14(18(13)23-17)15-8-9-16-19(22-15)21-11-10-20-16;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;;;/h3-10,12-14H,1-2H3;2-9,11-14H,1H3;2-9,11-13H,1H3;2-6,8-12H,1H3;2*1-5,7-11H;2*1-5H;1-4H;;;/q9*-1;3*+3.

What are the key properties of bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 3101.28 g/mol, XLogP of 34.49, 9 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;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 159415504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).