2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)

C116H108F4Ir4N4-4 — CID 158422081

IUPAC2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)
SMILESCCCCCCc1ccc(-c2cc(-c3ccc4ccccc4n3)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nc4ccccc4cc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3ccc4cc(-c5ccccc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3ccc4ccccc4n3)c2)cc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H30N.C29H27F3N.C27H25FN.C27H26N.4Ir/c1-2-3-4-6-10-25-15-17-27(18-16-25)28-13-9-14-30(23-28)32-22-20-31-24-29(19-21-33(31)34-32)26-11-7-5-8-12-26;1-3-4-5-6-9-21-12-14-22(15-13-21)25-19-24(16-17-26(25)29(30,31)32)28-20(2)18-23-10-7-8-11-27(23)33-28;1-2-3-4-5-8-20-11-13-21(14-12-20)24-19-23(15-17-25(24)28)27-18-16-22-9-6-7-10-26(22)29-27;1-2-3-4-5-9-21-14-16-22(17-15-21)24-11-8-12-25(20-24)27-19-18-23-10-6-7-13-26(23)28-27;;;;/h5,7-9,11-13,15-24H,2-4,6,10H2,1H3;7-8,10-15,17-19H,3-6,9H2,1-2H3;6-7,9-14,16-19H,2-5,8H2,1H3;6-8,10-11,13-20H,2-5,9H2,1H3;;;;/q4*-1;;;;
InChIKeyOKKMYXDENXZWNT-UHFFFAOYSA-N
MW2403.03 g/mol
LogP33.09
Rot. Bonds29

About 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)

2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium) (PubChem CID 158422081) has the molecular formula C116H108F4Ir4N4-4 and a molecular weight of 2403.03 g/mol. Its IUPAC name is 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium).

Molecular Properties

Compound Name2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)
PubChem CID158422081
Molecular FormulaC116H108F4Ir4N4-4
Molecular Weight2403.03 g/mol
Exact Mass2404.70
IUPAC Name2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)
SMILESCCCCCCc1ccc(-c2cc(-c3ccc4ccccc4n3)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nc4ccccc4cc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3ccc4cc(-c5ccccc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3ccc4ccccc4n3)c2)cc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H30N.C29H27F3N.C27H25FN.C27H26N.4Ir/c1-2-3-4-6-10-25-15-17-27(18-16-25)28-13-9-14-30(23-28)32-22-20-31-24-29(19-21-33(31)34-32)26-11-7-5-8-12-26;1-3-4-5-6-9-21-12-14-22(15-13-21)25-19-24(16-17-26(25)29(30,31)32)28-20(2)18-23-10-7-8-11-27(23)33-28;1-2-3-4-5-8-20-11-13-21(14-12-20)24-19-23(15-17-25(24)28)27-18-16-22-9-6-7-10-26(22)29-27;1-2-3-4-5-9-21-14-16-22(17-15-21)24-11-8-12-25(20-24)27-19-18-23-10-6-7-13-26(23)28-27;;;;/h5,7-9,11-13,15-24H,2-4,6,10H2,1H3;7-8,10-15,17-19H,3-6,9H2,1-2H3;6-7,9-14,16-19H,2-5,8H2,1H3;6-8,10-11,13-20H,2-5,9H2,1H3;;;;/q4*-1;;;;
InChIKeyOKKMYXDENXZWNT-UHFFFAOYSA-N
XLogP33.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002403.03
LogP ≤ 533.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium) with MolForge

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Related Compounds

12,13-dimethyl-7,18-bis[(E)-2-(1-methylindol-2-yl)vinyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457216
5,11-Dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole
CID 102033935
2,3,9,10-Tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
CID 134959138
4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline
CID 138984975
CID 139046347
CID 139046347
Copper(1+);bis(2,9-di(propan-2-yl)-1,10-phenanthroline);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139134163
Cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
CID 139142125
N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine
CID 139147183
Acetonitrile;bis(2,9-bis[4-(trifluoromethyl)phenyl]-1,10-phenanthroline);copper(1+);hexafluorophosphate
CID 139174394
4-[2-(4-Methylphenyl)ethynyl]-2,8-bis(trifluoromethyl)quinoline
CID 139204517
8-Methyl-2-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]quinoline
CID 139204524
4-[2-(4-Tert-butylphenyl)ethynyl]-8-methyl-2-(trifluoromethyl)quinoline
CID 139204531

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)?
The IUPAC name of 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium) (CID 158422081) is 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium).
What is the SMILES notation for 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)?
The canonical SMILES for 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium) is CCCCCCc1ccc(-c2cc(-c3ccc4ccccc4n3)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nc4ccccc4cc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3ccc4cc(-c5ccccc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3ccc4ccccc4n3)c2)cc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)?
The InChIKey is OKKMYXDENXZWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N.C29H27F3N.C27H25FN.C27H26N.4Ir/c1-2-3-4-6-10-25-15-17-27(18-16-25)28-13-9-14-30(23-28)32-22-20-31-24-29(19-21-33(31)34-32)26-11-7-5-8-12-26;1-3-4-5-6-9-21-12-14-22(15-13-21)25-19-24(16-17-26(25)29(30,31)32)28-20(2)18-23-10-7-8-11-27(23)33-28;1-2-3-4-5-8-20-11-13-21(14-12-20)24-19-23(15-17-25(24)28)27-18-16-22-9-6-7-10-26(22)29-27;1-2-3-4-5-9-21-14-16-22(17-15-21)24-11-8-12-25(20-24)27-19-18-23-10-6-7-13-26(23)28-27;;;;/h5,7-9,11-13,15-24H,2-4,6,10H2,1H3;7-8,10-15,17-19H,3-6,9H2,1-2H3;6-7,9-14,16-19H,2-5,8H2,1H3;6-8,10-11,13-20H,2-5,9H2,1H3;;;;/q4*-1;;;;.
What are the key properties of 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium)?
2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium) has a molecular weight of 2403.03 g/mol, XLogP of 33.09, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-6-phenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]quinoline;2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-methylquinoline;tetrakis(iridium) is sourced from PubChem (CID 158422081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).