2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)

C110H152F12Ir4N4O8-4 — CID 158266378

IUPAC2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC1[C-]=C(c2ccc3cc(C(F)(F)F)ccc3n2)CCC1.CC1[C-]=C(c2ccc3ccc(C(F)(F)F)cc3n2)CCC1.FC(F)(F)c1ccc2ccc(C3=[C-]CCCC3)nc2c1.FC(F)(F)c1ccc2nc(C3=[C-]CCCC3)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C17H15F3N.2C16H13F3N.4C11H24O2.4Ir/c1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(17(18,19)20)10-16(12)21-15;1-11-3-2-4-12(9-11)15-7-5-13-10-14(17(18,19)20)6-8-16(13)21-15;17-16(18,19)13-7-9-15-12(10-13)6-8-14(20-15)11-4-2-1-3-5-11;17-16(18,19)13-8-6-12-7-9-14(20-15(12)10-13)11-4-2-1-3-5-11;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h2*5-8,10-11H,2-4H2,1H3;2*6-10H,1-4H2;4*8-9,12-13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyGJUYITDFNDCSBI-UHFFFAOYSA-N
MW2655.29 g/mol
LogP29.30
Rot. Bonds12

About 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)

2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) (PubChem CID 158266378) has the molecular formula C110H152F12Ir4N4O8-4 and a molecular weight of 2655.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol).

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
PubChem CID158266378
Molecular FormulaC110H152F12Ir4N4O8-4
Molecular Weight2655.29 g/mol
Exact Mass2657.00
IUPAC Name2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC1[C-]=C(c2ccc3cc(C(F)(F)F)ccc3n2)CCC1.CC1[C-]=C(c2ccc3ccc(C(F)(F)F)cc3n2)CCC1.FC(F)(F)c1ccc2ccc(C3=[C-]CCCC3)nc2c1.FC(F)(F)c1ccc2nc(C3=[C-]CCCC3)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C17H15F3N.2C16H13F3N.4C11H24O2.4Ir/c1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(17(18,19)20)10-16(12)21-15;1-11-3-2-4-12(9-11)15-7-5-13-10-14(17(18,19)20)6-8-16(13)21-15;17-16(18,19)13-7-9-15-12(10-13)6-8-14(20-15)11-4-2-1-3-5-11;17-16(18,19)13-8-6-12-7-9-14(20-15(12)10-13)11-4-2-1-3-5-11;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h2*5-8,10-11H,2-4H2,1H3;2*6-10H,1-4H2;4*8-9,12-13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyGJUYITDFNDCSBI-UHFFFAOYSA-N
XLogP29.30
TPSA213.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002655.29
LogP ≤ 529.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) with MolForge

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Related Compounds

2-(Cyclohexen-1-yl)-7-fluoroquinoline;2-(cyclohexen-1-yl)-3-(trifluoromethyl)quinoline;6-fluoro-2-(3-methylcyclohexen-1-yl)quinoline;7-fluoro-2-(3-methylcyclohexen-1-yl)quinoline;pentakis(iridium);2-(3-methylcyclohexen-1-yl)-3-(trifluoromethyl)quinoline;pentakis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 157247494
bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline);2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-propylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,3-trifluoropropyl)quinoline;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-hydroxypent-3-en-2-one;tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5-methylhex-3-en-2-one
CID 157660383
tetrakis(4-[4,4-bis(2-methylpropyl)cyclohexyl]-2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethylquinoline);5-hydroxy-2,6-dimethylhept-4-en-3-one;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
CID 157751663
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)
CID 157824426
4-[3-(4-Isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
CID 158078243
tetrakis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(2,2,4,4-tetramethylspiro[5.5]undecan-9-yl)quinoline);5-hydroxy-2,6-dimethylhept-4-en-3-one;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
CID 158175670
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline
CID 158240734
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)
CID 158396252
tetrakis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5-dimethylquinoline);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 158477651
bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline);bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-spiro[5.5]undecan-3-ylquinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
CID 158512505
tetrakis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(3,3-dimethylspiro[5.5]undecan-9-yl)-5,7-dimethylquinoline);5-ethyl-1,1,1-trifluoro-2-hydroxyhept-2-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one;6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 158557787
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
CID 158674008

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?
The IUPAC name of 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) (CID 158266378) is 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol).
What is the SMILES notation for 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?
The canonical SMILES for 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC1[C-]=C(c2ccc3cc(C(F)(F)F)ccc3n2)CCC1.CC1[C-]=C(c2ccc3ccc(C(F)(F)F)cc3n2)CCC1.FC(F)(F)c1ccc2ccc(C3=[C-]CCCC3)nc2c1.FC(F)(F)c1ccc2nc(C3=[C-]CCCC3)ccc2c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?
The InChIKey is GJUYITDFNDCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15F3N.2C16H13F3N.4C11H24O2.4Ir/c1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(17(18,19)20)10-16(12)21-15;1-11-3-2-4-12(9-11)15-7-5-13-10-14(17(18,19)20)6-8-16(13)21-15;17-16(18,19)13-7-9-15-12(10-13)6-8-14(20-15)11-4-2-1-3-5-11;17-16(18,19)13-8-6-12-7-9-14(20-15(12)10-13)11-4-2-1-3-5-11;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h2*5-8,10-11H,2-4H2,1H3;2*6-10H,1-4H2;4*8-9,12-13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?
2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) has a molecular weight of 2655.29 g/mol, XLogP of 29.30, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(cyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methylcyclohexen-1-yl)-6-(trifluoromethyl)quinoline;2-(3-methylcyclohexen-1-yl)-7-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) is sourced from PubChem (CID 158266378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).