3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline

C121H119Ir4N5O8-4 — CID 162096504

IUPAC3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(O)C(C)(C)C.CC(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nc3cccnc3cc2C)cc(-c2ccccc2)c1.Cc1[c-]c(-c2ncc(C)cc2C)cc(-c2ccccc2)c1.Cc1cccc(C)c1-c1cccnc1-c1[c-]ccc(-c2ccccc2)c1.Cc1ccccc1-c1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H20N.C25H20N.C22H17N2.C20H18N.2C8H14O2.2C5H8O2.4Ir/c1-20-10-5-7-16-25(20)26-19-23-13-6-8-17-27(23)29-28(26)24-15-9-14-22(18-24)21-11-3-2-4-12-21;1-18-9-6-10-19(2)24(18)23-15-8-16-26-25(23)22-14-7-13-21(17-22)20-11-4-3-5-12-20;1-15-11-18(17-7-4-3-5-8-17)14-19(12-15)22-16(2)13-21-20(24-22)9-6-10-23-21;1-14-10-18(17-7-5-4-6-8-17)12-19(11-14)20-16(3)9-15(2)13-21-20;2*1-6(9)5-7(10)8(2,3)4;2*1-4(6)3-5(2)7;;;;/h2-14,16-19H,1H3;3-13,15-17H,1-2H3;3-11,13-14H,1-2H3;4-10,12-13H,1-3H3;2*5,10H,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyUOFOITLMBKNISM-UHFFFAOYSA-N
MW2540.18 g/mol
LogP30.56
Rot. Bonds14

About 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline

3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline (PubChem CID 162096504) has the molecular formula C121H119Ir4N5O8-4 and a molecular weight of 2540.18 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline
PubChem CID162096504
Molecular FormulaC121H119Ir4N5O8-4
Molecular Weight2540.18 g/mol
Exact Mass2541.76
IUPAC Name3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(O)C(C)(C)C.CC(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nc3cccnc3cc2C)cc(-c2ccccc2)c1.Cc1[c-]c(-c2ncc(C)cc2C)cc(-c2ccccc2)c1.Cc1cccc(C)c1-c1cccnc1-c1[c-]ccc(-c2ccccc2)c1.Cc1ccccc1-c1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H20N.C25H20N.C22H17N2.C20H18N.2C8H14O2.2C5H8O2.4Ir/c1-20-10-5-7-16-25(20)26-19-23-13-6-8-17-27(23)29-28(26)24-15-9-14-22(18-24)21-11-3-2-4-12-21;1-18-9-6-10-19(2)24(18)23-15-8-16-26-25(23)22-14-7-13-21(17-22)20-11-4-3-5-12-20;1-15-11-18(17-7-4-3-5-8-17)14-19(12-15)22-16(2)13-21-20(24-22)9-6-10-23-21;1-14-10-18(17-7-5-4-6-8-17)12-19(11-14)20-16(3)9-15(2)13-21-20;2*1-6(9)5-7(10)8(2,3)4;2*1-4(6)3-5(2)7;;;;/h2-14,16-19H,1H3;3-13,15-17H,1-2H3;3-11,13-14H,1-2H3;4-10,12-13H,1-3H3;2*5,10H,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyUOFOITLMBKNISM-UHFFFAOYSA-N
XLogP30.56
TPSA213.65 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002540.18
LogP ≤ 530.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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'}

Analyze 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline with MolForge

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Related Compounds

2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-3-methyl-1H-naphthalen-1-ide;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine)
CID 160961239
4-fluoro-3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methyl-3-(3-phenylbenzene-6-id-1-yl)isoquinoline;3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)quinoline;bis(pyridine-2-carboxylic acid)
CID 160771146
10H-benzo[h]quinolin-10-ide;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline;bis(7-methyl-2-phenylquinoline);2-phenylquinoline
CID 161247551
2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
CID 140587226
benzo[f]isoquinoline;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;1,3-dimethylbenzene-6-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 164733704
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;4-(3-methyl-5-phenylbenzene-2-id-1-yl)benzo[f]isoquinoline
CID 168745112
10H-benzo[h]quinolin-10-ide;bis(4-hydroxypent-3-en-2-one);bis(iridium);7-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline
CID 160647236
4-(3,5-dimethylbenzene-6-id-1-yl)-8-methylbenzo[f]isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 168745231
2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626171
4-(3,5-dimethylbenzene-6-id-1-yl)-3,7-phenanthroline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 168852713
(Z)-4-hydroxypent-3-en-2-one;iridium;6-(3-phenylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)thieno[2,3-b]pyridine
CID 155628758
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 58239768

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline?
The IUPAC name of 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline (CID 162096504) is 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline.
What is the SMILES notation for 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline?
The canonical SMILES for 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(O)C(C)(C)C.CC(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nc3cccnc3cc2C)cc(-c2ccccc2)c1.Cc1[c-]c(-c2ncc(C)cc2C)cc(-c2ccccc2)c1.Cc1cccc(C)c1-c1cccnc1-c1[c-]ccc(-c2ccccc2)c1.Cc1ccccc1-c1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline?
The InChIKey is UOFOITLMBKNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N.C25H20N.C22H17N2.C20H18N.2C8H14O2.2C5H8O2.4Ir/c1-20-10-5-7-16-25(20)26-19-23-13-6-8-17-27(23)29-28(26)24-15-9-14-22(18-24)21-11-3-2-4-12-21;1-18-9-6-10-19(2)24(18)23-15-8-16-26-25(23)22-14-7-13-21(17-22)20-11-4-3-5-12-20;1-15-11-18(17-7-4-3-5-8-17)14-19(12-15)22-16(2)13-21-20(24-22)9-6-10-23-21;1-14-10-18(17-7-5-4-6-8-17)12-19(11-14)20-16(3)9-15(2)13-21-20;2*1-6(9)5-7(10)8(2,3)4;2*1-4(6)3-5(2)7;;;;/h2-14,16-19H,1H3;3-13,15-17H,1-2H3;3-11,13-14H,1-2H3;4-10,12-13H,1-3H3;2*5,10H,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline?
3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline has a molecular weight of 2540.18 g/mol, XLogP of 30.56, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)pyridine;3-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxy-5,5-dimethylhex-3-en-2-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-methyl-2-(3-methyl-5-phenylbenzene-2-id-1-yl)-1,5-naphthyridine;3-(2-methylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline is sourced from PubChem (CID 162096504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).