2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)

C112H100Ir2N4O8Pd2-4 — CID 157069730

About 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)

2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium) (PubChem CID 157069730) has the molecular formula C112H100Ir2N4O8Pd2-4 and a molecular weight of 2227.33 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)
• PubChem CID: 157069730
• Molecular Formula: C112H100Ir2N4O8Pd2-4
• Molecular Weight: 2227.33 g/mol
• Exact Mass: 2226.49
• IUPAC Name: 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)[c-]c(-c2ccccc2O)c1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3nccc4ccccc34)cc21.Oc1ccccc1-c1[c-]c(-c2cccc(-c3ccccc3O)n2)ccc1.[Ir].[Ir].[Pd].[Pd]
• InChI: InChI=1S/C31H32NO2.2C24H18N.C23H16NO2.2C5H8O2.2Ir.2Pd/c1-30(2,3)22-16-20(24-11-7-9-13-28(24)33)15-21(17-22)26-18-23(31(4,5)6)19-27(32-26)25-12-8-10-14-29(25)34;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23;25-22-13-3-1-9-18(22)16-7-5-8-17(15-16)20-11-6-12-21(24-20)19-10-2-4-14-23(19)26;2*1-4(6)3-5(2)7;;;;/h7-14,16-19,33-34H,1-6H3;2*3-10,12-15H,1-2H3;1-14,25-26H;2*3,6H,1-2H3;;;;/q4*-1
• InChIKey: RRXPYTYAVPQOLI-UHFFFAOYSA-N
• XLogP: 27.26
• TPSA: 207.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.33
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)?

The IUPAC name of 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium) (CID 157069730) is 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium).

What is the SMILES notation for 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)?

The canonical SMILES for 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)[c-]c(-c2ccccc2O)c1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3nccc4ccccc34)cc21.Oc1ccccc1-c1[c-]c(-c2cccc(-c3ccccc3O)n2)ccc1.[Ir].[Ir].[Pd].[Pd].

What is the InChIKey of 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)?

The InChIKey is RRXPYTYAVPQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32NO2.2C24H18N.C23H16NO2.2C5H8O2.2Ir.2Pd/c1-30(2,3)22-16-20(24-11-7-9-13-28(24)33)15-21(17-22)26-18-23(31(4,5)6)19-27(32-26)25-12-8-10-14-29(25)34;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23;25-22-13-3-1-9-18(22)16-7-5-8-17(15-16)20-11-6-12-21(24-20)19-10-2-4-14-23(19)26;2*1-4(6)3-5(2)7;;;;/h7-14,16-19,33-34H,1-6H3;2*3-10,12-15H,1-2H3;1-14,25-26H;2*3,6H,1-2H3;;;;/q4*-1;;;;;;.

What are the key properties of 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium)?

2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium) has a molecular weight of 2227.33 g/mol, XLogP of 27.26, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]benzene-6-id-1-yl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);2-[3-[6-(2-hydroxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenol;bis(iridium);bis(palladium) is sourced from PubChem (CID 157069730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).