2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)

C148H170F12Ir3N3O6-3 — CID 161144499

IUPAC2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)Cc1ccc(-c2ccc(-c3cc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C(F)(F)F)cc2)cc1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Ir]
InChIInChI=1S/C37H32F6N.C36H33F3N.C32H25F3N.2C15H28O2.C13H24O2.3Ir/c1-34(2,3)31-19-28(18-27-8-6-7-9-29(27)31)33-20-30(32(22-44-33)36(38,39)40)26-16-14-25(15-17-26)24-12-10-23(11-13-24)21-35(4,5)37(41,42)43;1-23(2)18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)31-21-34(40-22-33(31)36(37,38)39)29-19-28-8-6-7-9-30(28)32(20-29)35(3,4)5;1-31(2,3)28-18-25(17-24-11-7-8-12-26(24)28)30-19-27(29(20-36-30)32(33,34)35)23-15-13-22(14-16-23)21-9-5-4-6-10-21;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h6-17,19-20,22H,21H2,1-5H3;6-17,20-23H,18H2,1-5H3;4-16,18-20H,1-3H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyJVCRNFYSAXEDKC-UHFFFAOYSA-N
MW2891.63 g/mol
LogP44.55
Rot. Bonds34

About 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium) (PubChem CID 161144499) has the molecular formula C148H170F12Ir3N3O6-3 and a molecular weight of 2891.63 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium).

Molecular Properties

Compound Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)
PubChem CID161144499
Molecular FormulaC148H170F12Ir3N3O6-3
Molecular Weight2891.63 g/mol
Exact Mass2892.18
IUPAC Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)Cc1ccc(-c2ccc(-c3cc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C(F)(F)F)cc2)cc1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Ir]
InChIInChI=1S/C37H32F6N.C36H33F3N.C32H25F3N.2C15H28O2.C13H24O2.3Ir/c1-34(2,3)31-19-28(18-27-8-6-7-9-29(27)31)33-20-30(32(22-44-33)36(38,39)40)26-16-14-25(15-17-26)24-12-10-23(11-13-24)21-35(4,5)37(41,42)43;1-23(2)18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)31-21-34(40-22-33(31)36(37,38)39)29-19-28-8-6-7-9-30(28)32(20-29)35(3,4)5;1-31(2,3)28-18-25(17-24-11-7-8-12-26(24)28)30-19-27(29(20-36-30)32(33,34)35)23-15-13-22(14-16-23)21-9-5-4-6-10-21;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h6-17,19-20,22H,21H2,1-5H3;6-17,20-23H,18H2,1-5H3;4-16,18-20H,1-3H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyJVCRNFYSAXEDKC-UHFFFAOYSA-N
XLogP44.55
TPSA150.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002891.63
LogP ≤ 544.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)?
The IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium) (CID 161144499) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium).
What is the SMILES notation for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)?
The canonical SMILES for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium) is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)Cc1ccc(-c2ccc(-c3cc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C(F)(F)F)cc2)cc1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Ir].
What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)?
The InChIKey is JVCRNFYSAXEDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32F6N.C36H33F3N.C32H25F3N.2C15H28O2.C13H24O2.3Ir/c1-34(2,3)31-19-28(18-27-8-6-7-9-29(27)31)33-20-30(32(22-44-33)36(38,39)40)26-16-14-25(15-17-26)24-12-10-23(11-13-24)21-35(4,5)37(41,42)43;1-23(2)18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)31-21-34(40-22-33(31)36(37,38)39)29-19-28-8-6-7-9-30(28)32(20-29)35(3,4)5;1-31(2,3)28-18-25(17-24-11-7-8-12-26(24)28)30-19-27(29(20-36-30)32(33,34)35)23-15-13-22(14-16-23)21-9-5-4-6-10-21;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h6-17,19-20,22H,21H2,1-5H3;6-17,20-23H,18H2,1-5H3;4-16,18-20H,1-3H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;.
What are the key properties of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium)?
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium) has a molecular weight of 2891.63 g/mol, XLogP of 44.55, 34 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;tris(iridium) is sourced from PubChem (CID 161144499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).