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

C145H85F9Ir3N29S3 — CID 162192512

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

bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (PubChem CID 162192512) has the molecular formula C145H85F9Ir3N29S3 and a molecular weight of 3077.31 g/mol. Its IUPAC name is bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

Molecular Properties

• Compound Name: bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• PubChem CID: 162192512
• Molecular Formula: C145H85F9Ir3N29S3
• Molecular Weight: 3077.31 g/mol
• Exact Mass: 3077.54
• IUPAC Name: bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• SMILES: Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4nccnc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4nccnc4n3)c21.FC(F)(F)c1n[n-]c(-c2ccccn2)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(sc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(sc3ccccc32)c1-c1ccc2nccnc2n1.[c-]1ccc2c(sc3ccccc32)c1-c1ccc2nccnc2n1
• InChI: InChI=1S/C22H15N2.C21H12NS.2C20H13N4.2C19H10N3S.3C8H4F3N4.3Ir/c1-24-21-12-5-3-8-16(21)17-9-6-10-18(22(17)24)20-14-13-15-7-2-4-11-19(15)23-20;1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;2*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;3*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;;;/h2-9,11-14H,1H3;1-8,10-13H;2*2-6,8-12H,1H3;2*1-5,7-11H;3*1-4H;;;/q9*-1;3*+3
• InChIKey: NIJKLNMKYIQECM-UHFFFAOYSA-N
• XLogP: 33.95
• TPSA: 353.56 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 9
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3077.31
LogP ≤ 5	33.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

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

The IUPAC name of bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (CID 162192512) is bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

What is the SMILES notation for bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The canonical SMILES for bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is Cn1c2ccccc2c2cc[c-]c(-c3ccc4ccccc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4nccnc4n3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccc4nccnc4n3)c21.FC(F)(F)c1n[n-]c(-c2ccccn2)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(sc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(sc3ccccc32)c1-c1ccc2nccnc2n1.[c-]1ccc2c(sc3ccccc32)c1-c1ccc2nccnc2n1.

What is the InChIKey of bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The InChIKey is NIJKLNMKYIQECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C21H12NS.2C20H13N4.2C19H10N3S.3C8H4F3N4.3Ir/c1-24-21-12-5-3-8-16(21)17-9-6-10-18(22(17)24)20-14-13-15-7-2-4-11-19(15)23-20;1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;2*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;3*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;;;/h2-9,11-14H,1H3;1-8,10-13H;2*2-6,8-12H,1H3;2*1-5,7-11H;3*1-4H;;;/q9*-1;3*+3.

What are the key properties of bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) has a molecular weight of 3077.31 g/mol, XLogP of 33.95, 9 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(3H-dibenzothiophen-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzothiophen-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is sourced from PubChem (CID 162192512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).