[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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline)

C256H207Ir9N14O13-10 — CID 160777862

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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline) (PubChem CID 160777862) has the molecular formula C256H207Ir9N14O13-10 and a molecular weight of 5417.51 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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline)
• PubChem CID: 160777862
• Molecular Formula: C256H207Ir9N14O13-10
• Molecular Weight: 5417.51 g/mol
• Exact Mass: 5421.27
• 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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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(=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.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]ccc2ccccc12.[C-](=C/c1[c-]c2ccccc2cc1)\c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
• InChI: InChI=1S/C23H18N.C22H20NO.C22H16N.2C21H14N.C18H11N2.C18H14N.C18H12.C17H11N2.C16H9N2.2C15H10N.6C5H8O2.9Ir/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;1-22(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;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;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;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-2-6-15(7-3-1)10-11-16-12-13-17-8-4-5-9-18(17)14-16;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;17-11-13-7-4-10-18-16(13)15-9-3-6-12-5-1-2-8-14(12)15;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;6*1-4(6)3-5(2)7;;;;;;;;;/h3-13,15H,1-2H3;4-9,11-15H,1-3H3;2-9,11-15H,1H3;1-11,13-15H;1-12,14-15H;1-5,8,10H,6-7H2;2-6,9,11H,7-8H2,1H3;1-9,11-13H;2-8,10H,1H3;1-8,10H;2*1-6,8-11H;6*3,6H,1-2H3;;;;;;;;;/q7*-1;-2;4*-1;;;;;;;;;;;;;;;+3
• InChIKey: GHWSLAMQZZKWFW-UHFFFAOYSA-N
• XLogP: 60.82
• TPSA: 454.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5417.51
LogP ≤ 5	60.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline) (CID 160777862) 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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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(=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.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]ccc2ccccc12.[C-](=C/c1[c-]c2ccccc2cc1)\c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1.[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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline)?

The InChIKey is GHWSLAMQZZKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N.C22H20NO.C22H16N.2C21H14N.C18H11N2.C18H14N.C18H12.C17H11N2.C16H9N2.2C15H10N.6C5H8O2.9Ir/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;1-22(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;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;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;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-2-6-15(7-3-1)10-11-16-12-13-17-8-4-5-9-18(17)14-16;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;17-11-13-7-4-10-18-16(13)15-9-3-6-12-5-1-2-8-14(12)15;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;6*1-4(6)3-5(2)7;;;;;;;;;/h3-13,15H,1-2H3;4-9,11-15H,1-3H3;2-9,11-15H,1H3;1-11,13-15H;1-12,14-15H;1-5,8,10H,6-7H2;2-6,9,11H,7-8H2,1H3;1-9,11-13H;2-8,10H,1H3;1-8,10H;2*1-6,8-11H;6*3,6H,1-2H3;;;;;;;;;/q7*-1;-2;4*-1;;;;;;;;;;;;;;;+3.

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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline) has a molecular weight of 5417.51 g/mol, XLogP of 60.82, 25 rotatable bonds, 6 hydrogen bond donors, and 27 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;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)-1H-naphthalen-1-ide;4-phenyl-2-phenylquinoline;bis(2-phenylquinoline) is sourced from PubChem (CID 160777862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).