8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid

C111H69F6Ir3N19O4Pt-4 — CID 157127046

About 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid

8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid (PubChem CID 157127046) has the molecular formula C111H69F6Ir3N19O4Pt-4 and a molecular weight of 2618.62 g/mol. Its IUPAC name is 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid
• PubChem CID: 157127046
• Molecular Formula: C111H69F6Ir3N19O4Pt-4
• Molecular Weight: 2618.62 g/mol
• Exact Mass: 2619.42
• IUPAC Name: 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid
• SMILES: Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1cnc2c(-n3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1
• InChI: InChI=1S/C51H30N12.C21H14F2N3O2.2C11H6F2N.C11H8N.C6H5NO2.3Ir.Pt/c1-10-31-13-4-22-52-43(31)40(19-1)61-46(58-37-16-7-25-55-49(37)61)34-28-35(47-59-38-17-8-26-56-50(38)62(47)41-20-2-11-32-14-5-23-53-44(32)41)30-36(29-34)48-60-39-18-9-27-57-51(39)63(48)42-21-3-12-33-15-6-24-54-45(33)42;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h1-30H;4-9,11H,1-2H3,(H,27,28);2*1-4,6-7H;1-6,8-9H;1-4H,(H,8,9);;;;/q;4*-1
• InChIKey: VYJSTNUBGBMVQN-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 287.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.62
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	2
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 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid?

The IUPAC name of 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid (CID 157127046) is 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid.

What is the SMILES notation for 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid?

The canonical SMILES for 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1cnc2c(-n3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1.

What is the InChIKey of 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid?

The InChIKey is VYJSTNUBGBMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N12.C21H14F2N3O2.2C11H6F2N.C11H8N.C6H5NO2.3Ir.Pt/c1-10-31-13-4-22-52-43(31)40(19-1)61-46(58-37-16-7-25-55-49(37)61)34-28-35(47-59-38-17-8-26-56-50(38)62(47)41-20-2-11-32-14-5-23-53-44(32)41)30-36(29-34)48-60-39-18-9-27-57-51(39)63(48)42-21-3-12-33-15-6-24-54-45(33)42;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h1-30H;4-9,11H,1-2H3,(H,27,28);2*1-4,6-7H;1-6,8-9H;1-4H,(H,8,9);;;;/q;4*-1;;;;;.

What are the key properties of 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid?

8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid has a molecular weight of 2618.62 g/mol, XLogP of 24.30, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;tris(iridium);2-phenylpyridine;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 157127046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).