bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)

C110H64F12Ir2N12O4-4 — CID 160624605

About bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)

bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid) (PubChem CID 160624605) has the molecular formula C110H64F12Ir2N12O4-4 and a molecular weight of 2230.21 g/mol. Its IUPAC name is bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)
• PubChem CID: 160624605
• Molecular Formula: C110H64F12Ir2N12O4-4
• Molecular Weight: 2230.21 g/mol
• Exact Mass: 2230.43
• IUPAC Name: bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)
• SMILES: FC(F)(F)c1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c(C(F)(F)F)c1.FC(F)(F)c1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c(C(F)(F)F)c1.N#Cc1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc1.[Ir].[Ir]
• InChI: InChI=1S/2C25H13F6N2.2C24H14N3.2C6H5NO2.2Ir/c2*26-24(27,28)15-9-10-19(20(13-15)25(29,30)31)21-14-16(11-12-32-21)33-22-7-3-1-5-17(22)18-6-2-4-8-23(18)33;1-25-18-12-10-17(11-13-18)22-16-19(14-15-26-22)27-23-8-4-2-6-20(23)21-7-3-5-9-24(21)27;25-16-17-9-11-18(12-10-17)22-15-19(13-14-26-22)27-23-7-3-1-5-20(23)21-6-2-4-8-24(21)27;2*8-6(9)5-3-1-2-4-7-5;;/h2*1-9,11-14H;2-10,12-16H;1-11,13-15H;2*1-4H,(H,8,9);;/q4*-1
• InChIKey: GRHIRUASUUZSAT-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 199.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2230.21
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)?

The IUPAC name of bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid) (CID 160624605) is bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid) is FC(F)(F)c1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c(C(F)(F)F)c1.FC(F)(F)c1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c(C(F)(F)F)c1.N#Cc1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc1.[Ir].[Ir].

What is the InChIKey of bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)?

The InChIKey is GRHIRUASUUZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H13F6N2.2C24H14N3.2C6H5NO2.2Ir/c2*26-24(27,28)15-9-10-19(20(13-15)25(29,30)31)21-14-16(11-12-32-21)33-22-7-3-1-5-17(22)18-6-2-4-8-23(18)33;1-25-18-12-10-17(11-13-18)22-16-19(14-15-26-22)27-23-8-4-2-6-20(23)21-7-3-5-9-24(21)27;25-16-17-9-11-18(12-10-17)22-15-19(13-14-26-22)27-23-7-3-1-5-20(23)21-6-2-4-8-24(21)27;2*8-6(9)5-3-1-2-4-7-5;;/h2*1-9,11-14H;2-10,12-16H;1-11,13-15H;2*1-4H,(H,8,9);;/q4*-1;;;;.

What are the key properties of bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid)?

bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid) has a molecular weight of 2230.21 g/mol, XLogP of 28.64, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);4-(4-carbazol-9-yl-2-pyridinyl)benzene-5-ide-1-carbonitrile;bis(iridium);9-[2-(4-isocyanobenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 160624605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).