[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)

C275H222FIr9N14O12-13 — CID 161108208

About [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)

[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline) (PubChem CID 161108208) has the molecular formula C275H222FIr9N14O12-13 and a molecular weight of 5663.84 g/mol. Its IUPAC name is [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline).

Molecular Properties

• Compound Name: [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)
• PubChem CID: 161108208
• Molecular Formula: C275H222FIr9N14O12-13
• Molecular Weight: 5663.84 g/mol
• Exact Mass: 5667.39
• IUPAC Name: [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2ccc(C(=O)c3ccccc3)cn2)cc1.Cc1[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1c[c-]c(-c2cc(-c3ccc(F)cc3)c3ccccc3n2)cc1.Cc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.O=C(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
• InChI: InChI=1S/C23H18N.C22H15FN.C22H20NO.2C22H16N.C21H14N.C18H11N2.C18H12NO.C18H14N.C17H14N.C17H12N.2C15H10N.5C5H8O2.9Ir/c1-16-12-17(2)14-21(13-16)23-11-9-20-15-19(8-10-22(20)24-23)18-6-4-3-5-7-18;1-15-6-8-17(9-7-15)22-14-20(16-10-12-18(23)13-11-16)19-4-2-3-5-21(19)24-22;1-22(2,3)19-12-9-16(10-13-19)20-14-11-18(15-23-20)21(24)17-7-5-4-6-8-17;1-16-11-13-18(14-12-16)22-15-20(17-7-3-2-4-8-17)19-9-5-6-10-21(19)23-22;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;19-11-14-4-2-10-20-18(14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13;20-18(15-9-5-2-6-10-15)16-11-12-17(19-13-16)14-7-3-1-4-8-14;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;5*1-4(6)3-5(2)7;;;;;;;;;/h3-13,15H,1-2H3;2-8,10-14H,1H3;4-9,11-15H,1-3H3;2-13,15H,1H3;2-9,11-15H,1H3;1-12,14-15H;1-5,8,10H,6-7H2;1-7,9-13H;2-6,9,11H,7-8H2,1H3;3-10H,1-2H3;1-9,11-13H;2*1-6,8-11H;5*3,6H,1-2H3;;;;;;;;;/q13*-1
• InChIKey: GXKRKLJXIKZRQX-UHFFFAOYSA-N
• XLogP: 66.15
• TPSA: 412.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 311
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5663.84
LogP ≤ 5	66.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)?

The IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline) (CID 161108208) is [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline).

What is the SMILES notation for [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)?

The canonical SMILES for [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2ccc(C(=O)c3ccccc3)cn2)cc1.Cc1[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1c[c-]c(-c2cc(-c3ccc(F)cc3)c3ccccc3n2)cc1.Cc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.O=C(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.

What is the InChIKey of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)?

The InChIKey is GXKRKLJXIKZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N.C22H15FN.C22H20NO.2C22H16N.C21H14N.C18H11N2.C18H12NO.C18H14N.C17H14N.C17H12N.2C15H10N.5C5H8O2.9Ir/c1-16-12-17(2)14-21(13-16)23-11-9-20-15-19(8-10-22(20)24-23)18-6-4-3-5-7-18;1-15-6-8-17(9-7-15)22-14-20(16-10-12-18(23)13-11-16)19-4-2-3-5-21(19)24-22;1-22(2,3)19-12-9-16(10-13-19)20-14-11-18(15-23-20)21(24)17-7-5-4-6-8-17;1-16-11-13-18(14-12-16)22-15-20(17-7-3-2-4-8-17)19-9-5-6-10-21(19)23-22;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;19-11-14-4-2-10-20-18(14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13;20-18(15-9-5-2-6-10-15)16-11-12-17(19-13-16)14-7-3-1-4-8-14;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;5*1-4(6)3-5(2)7;;;;;;;;;/h3-13,15H,1-2H3;2-8,10-14H,1H3;4-9,11-15H,1-3H3;2-13,15H,1H3;2-9,11-15H,1H3;1-12,14-15H;1-5,8,10H,6-7H2;1-7,9-13H;2-6,9,11H,7-8H2,1H3;3-10H,1-2H3;1-9,11-13H;2*1-6,8-11H;5*3,6H,1-2H3;;;;;;;;;/q13*-1;;;;;;;;;;;;;;.

What are the key properties of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)?

[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline) has a molecular weight of 5663.84 g/mol, XLogP of 66.15, 28 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2-phenylethenyl)quinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline) is sourced from PubChem (CID 161108208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).