2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C138H96F5Ir3N19O3-4 — CID 158289506

About 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158289506) has the molecular formula C138H96F5Ir3N19O3-4 and a molecular weight of 2740.06 g/mol. Its IUPAC name is 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 158289506
• Molecular Formula: C138H96F5Ir3N19O3-4
• Molecular Weight: 2740.06 g/mol
• Exact Mass: 2740.68
• IUPAC Name: 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: Cc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C)cc(-c3nc4cccnc4n3-c3ccccc3C)c2)nc2cccnc21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1cccc2cccnc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C45H33N9.C36H24N2.C11H6F2N.2C11H8N.C9H5F3N3.C9H7NO.C6H5NO2.3Ir/c1-28-13-4-7-19-37(28)52-40(49-34-16-10-22-46-43(34)52)31-25-32(41-50-35-17-11-23-47-44(35)53(41)38-20-8-5-14-29(38)2)27-33(26-31)42-51-36-18-12-24-48-45(36)54(42)39-21-9-6-15-30(39)3;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6(9)5-3-1-2-4-7-5;;;/h4-27H,1-3H3;1-24H;1-4,6-7H;2*1-6,8-9H;1-5H;1-6,11H;1-4H,(H,8,9);;;/q;;4*-1
• InChIKey: NKMHQKRXZKDBIZ-UHFFFAOYSA-N
• XLogP: 32.12
• TPSA: 263.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.06
LogP ≤ 5	32.12
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 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158289506) is 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C)cc(-c3nc4cccnc4n3-c3ccccc3C)c2)nc2cccnc21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1cccc2cccnc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is NKMHQKRXZKDBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N9.C36H24N2.C11H6F2N.2C11H8N.C9H5F3N3.C9H7NO.C6H5NO2.3Ir/c1-28-13-4-7-19-37(28)52-40(49-34-16-10-22-46-43(34)52)31-25-32(41-50-35-17-11-23-47-44(35)53(41)38-20-8-5-14-29(38)2)27-33(26-31)42-51-36-18-12-24-48-45(36)54(42)39-21-9-6-15-30(39)3;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6(9)5-3-1-2-4-7-5;;;/h4-27H,1-3H3;1-24H;1-4,6-7H;2*1-6,8-9H;1-5H;1-6,11H;1-4H,(H,8,9);;;/q;;4*-1;;;;;.

What are the key properties of 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2740.06 g/mol, XLogP of 32.12, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);bis(2-phenylpyridine);pyridine-2-carboxylic acid;quinolin-8-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158289506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).