2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium

C75H84F4IrN2O2S-2 — CID 165160639

IUPAC2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium
SMILESCC(C)(C)Cc1ccc(-c2ccc(-c3cc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C(F)(F)F)cc2)cc1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(CC(C)(C)C)c(C)sc23)cc(C)c1F.[Ir]
InChIInChI=1S/C37H35F3N.C25H25FNS.C13H24O2.Ir/c1-35(2,3)22-24-11-13-25(14-12-24)26-15-17-27(18-16-26)31-21-34(41-23-33(31)37(38,39)40)29-19-28-9-7-8-10-30(28)32(20-29)36(4,5)6;1-14-11-17(12-15(2)22(14)26)23-18-7-8-19-21(13-25(4,5)6)16(3)28-24(19)20(18)9-10-27-23;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-18,20-21,23H,22H2,1-6H3;7-11H,13H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q2*-1;;/b;;12-9-;
InChIKeyVFUFYYWHRNHMRR-QPQRVQKTSA-N
MW1345.78 g/mol
LogP22.38
Rot. Bonds13

About 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium (PubChem CID 165160639) has the molecular formula C75H84F4IrN2O2S-2 and a molecular weight of 1345.78 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium.

Molecular Properties

Compound Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium
PubChem CID165160639
Molecular FormulaC75H84F4IrN2O2S-2
Molecular Weight1345.78 g/mol
Exact Mass1345.58
IUPAC Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium
SMILESCC(C)(C)Cc1ccc(-c2ccc(-c3cc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C(F)(F)F)cc2)cc1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(CC(C)(C)C)c(C)sc23)cc(C)c1F.[Ir]
InChIInChI=1S/C37H35F3N.C25H25FNS.C13H24O2.Ir/c1-35(2,3)22-24-11-13-25(14-12-24)26-15-17-27(18-16-26)31-21-34(41-23-33(31)37(38,39)40)29-19-28-9-7-8-10-30(28)32(20-29)36(4,5)6;1-14-11-17(12-15(2)22(14)26)23-18-7-8-19-21(13-25(4,5)6)16(3)28-24(19)20(18)9-10-27-23;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-18,20-21,23H,22H2,1-6H3;7-11H,13H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q2*-1;;/b;;12-9-;
InChIKeyVFUFYYWHRNHMRR-QPQRVQKTSA-N
XLogP22.38
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.78
LogP ≤ 522.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,2-dimethylpropyl)-8-methyl-[1]benzothiolo[2,3-c]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 165160657
1-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(2,2-dimethylpropyl)phenyl]-3-pyridinyl]-2,2,2-trifluoroethanone;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796419
[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(2,2-dimethylpropyl)phenyl]-3-pyridinyl]-trifluorosilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796384
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 176786510
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-phenylphenyl)pyridine;iridium
CID 165160693
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-isocyanothieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164783393
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(2,2-dimethylpropyl)phenyl]-3-methylpyridazine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164729350
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-propan-2-yl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164703185
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]-2-fluorophenyl]pyridine-3-carbonitrile;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796386
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)-[1]benzothiolo[3,2-h]isoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 177073434
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-fluoro-7-[2,4,6-tri(propan-2-yl)phenyl]-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168736768
[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridin-3-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164703080

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium?
The IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium (CID 165160639) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium.
What is the SMILES notation for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium?
The canonical SMILES for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium is CC(C)(C)Cc1ccc(-c2ccc(-c3cc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C(F)(F)F)cc2)cc1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(CC(C)(C)C)c(C)sc23)cc(C)c1F.[Ir].
What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium?
The InChIKey is VFUFYYWHRNHMRR-QPQRVQKTSA-N. The full InChI is InChI=1S/C37H35F3N.C25H25FNS.C13H24O2.Ir/c1-35(2,3)22-24-11-13-25(14-12-24)26-15-17-27(18-16-26)31-21-34(41-23-33(31)37(38,39)40)29-19-28-9-7-8-10-30(28)32(20-29)36(4,5)6;1-14-11-17(12-15(2)22(14)26)23-18-7-8-19-21(13-25(4,5)6)16(3)28-24(19)20(18)9-10-27-23;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-18,20-21,23H,22H2,1-6H3;7-11H,13H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q2*-1;;/b;;12-9-;.
What are the key properties of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium?
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium has a molecular weight of 1345.78 g/mol, XLogP of 22.38, 13 rotatable bonds, 1 hydrogen bond donors, and 5 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-(2,2-dimethylpropyl)phenyl]phenyl]-5-(trifluoromethyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;3-(2,2-dimethylpropyl)-6-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-2-methylthieno[2,3-f]isoquinoline;iridium is sourced from PubChem (CID 165160639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).