2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)

C134H122F3Ir4N9O6S2-6 — CID 162287453

About 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)

2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine) (PubChem CID 162287453) has the molecular formula C134H122F3Ir4N9O6S2-6 and a molecular weight of 2844.50 g/mol. Its IUPAC name is 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine).

Molecular Properties

• Compound Name: 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
• PubChem CID: 162287453
• Molecular Formula: C134H122F3Ir4N9O6S2-6
• Molecular Weight: 2844.50 g/mol
• Exact Mass: 2845.75
• IUPAC Name: 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
• SMILES: CC(=O)C=C(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.CCC1(CC)c2ccccc2-c2c[c-]c(-c3ccccn3)cc21.CCCCC(CC)Cn1c2ccccc2c2ccc(-c3c[c-]c(-c4ccccn4)cc3)cc21.Cc1ccc(-c2[c-]c3c4ccccc4n(-c4ccccc4)c3cc2)nc1.FC(F)(F)c1ccc(-c2[c-]c3c4ccccc4n(-c4ccccc4)c3cc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C31H31N2.C24H14F3N2.C24H17N2.C22H20N.2C9H6NS.2C5H10O2.C5H8O2.4Ir/c1-3-5-10-23(4-2)22-33-30-13-7-6-11-27(30)28-19-18-26(21-31(28)33)24-14-16-25(17-15-24)29-12-8-9-20-32-29;25-24(26,27)17-11-12-21(28-15-17)16-10-13-23-20(14-16)19-8-4-5-9-22(19)29(23)18-6-2-1-3-7-18;1-17-11-13-22(25-16-17)18-12-14-24-21(15-18)20-9-5-6-10-23(20)26(24)19-7-3-2-4-8-19;1-3-22(4-2)19-10-6-5-9-17(19)18-13-12-16(15-20(18)22)21-11-7-8-14-23-21;2*1-2-6-10-8(4-1)9-5-3-7-11-9;3*1-4(6)3-5(2)7;;;;/h6-9,11-16,18-21,23H,3-5,10,22H2,1-2H3;1-13,15H;2-14,16H,1H3;5-11,13-15H,3-4H2,1-2H3;2*1-4,6-7H;2*3-4,6-7H,1-2H3;3,6H,1-2H3;;;;/q6*-1
• InChIKey: JTOFCRXPYSJHKK-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 210.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.50
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

The IUPAC name of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine) (CID 162287453) is 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine).

What is the SMILES notation for 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

The canonical SMILES for 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine) is CC(=O)C=C(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.CCC1(CC)c2ccccc2-c2c[c-]c(-c3ccccn3)cc21.CCCCC(CC)Cn1c2ccccc2c2ccc(-c3c[c-]c(-c4ccccn4)cc3)cc21.Cc1ccc(-c2[c-]c3c4ccccc4n(-c4ccccc4)c3cc2)nc1.FC(F)(F)c1ccc(-c2[c-]c3c4ccccc4n(-c4ccccc4)c3cc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

The InChIKey is JTOFCRXPYSJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N2.C24H14F3N2.C24H17N2.C22H20N.2C9H6NS.2C5H10O2.C5H8O2.4Ir/c1-3-5-10-23(4-2)22-33-30-13-7-6-11-27(30)28-19-18-26(21-31(28)33)24-14-16-25(17-15-24)29-12-8-9-20-32-29;25-24(26,27)17-11-12-21(28-15-17)16-10-13-23-20(14-16)19-8-4-5-9-22(19)29(23)18-6-2-1-3-7-18;1-17-11-13-22(25-16-17)18-12-14-24-21(15-18)20-9-5-6-10-23(20)26(24)19-7-3-2-4-8-19;1-3-22(4-2)19-10-6-5-9-17(19)18-13-12-16(15-20(18)22)21-11-7-8-14-23-21;2*1-2-6-10-8(4-1)9-5-3-7-11-9;3*1-4(6)3-5(2)7;;;;/h6-9,11-16,18-21,23H,3-5,10,22H2,1-2H3;1-13,15H;2-14,16H,1H3;5-11,13-15H,3-4H2,1-2H3;2*1-4,6-7H;2*3-4,6-7H,1-2H3;3,6H,1-2H3;;;;/q6*-1;;;;;;;.

What are the key properties of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine) has a molecular weight of 2844.50 g/mol, XLogP of 34.70, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)pyridine;9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;bis(pent-2-ene-2,4-diol);9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;bis(2-(3H-thiophen-3-id-2-yl)pyridine) is sourced from PubChem (CID 162287453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).