bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C86H65F7Ir4N19-9 — CID 157311624

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 157311624) has the molecular formula C86H65F7Ir4N19-9 and a molecular weight of 2266.45 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 157311624
• Molecular Formula: C86H65F7Ir4N19-9
• Molecular Weight: 2266.45 g/mol
• Exact Mass: 2268.41
• IUPAC Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: CN1C=CN(c2[c-]cc(C#N)cc2)[CH-]1.CN1C=CN(c2[c-]cc(C#N)cc2)[CH-]1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/C28H27N2.2C11H6F2N.2C11H9N3.C8H4F3N4.C6H4N5.4Ir/c1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h6-11,13-15,17H,16H2,1-5H3;2*1-4,6-7H;2*2-4,6-7,9H,1H3;1-4H;1-4H;;;;/q3*-1;2*-2;2*-1
• InChIKey: KDVFIMZSUXKSIR-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 222.05 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2266.45
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 157311624) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is CN1C=CN(c2[c-]cc(C#N)cc2)[CH-]1.CN1C=CN(c2[c-]cc(C#N)cc2)[CH-]1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is KDVFIMZSUXKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2.2C11H6F2N.2C11H9N3.C8H4F3N4.C6H4N5.4Ir/c1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h6-11,13-15,17H,16H2,1-5H3;2*1-4,6-7H;2*2-4,6-7,9H,1H3;1-4H;1-4H;;;;/q3*-1;2*-2;2*-1;;;;.

What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2266.45 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);bis(4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-ide-1-carbonitrile);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 157311624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).