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)

C135H191F9Ir5N5O10-5 — CID 157247494

IUPAC2-(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)
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.CC(C)(C)C(O)CC(O)C(C)(C)C.CC1[C-]=C(c2ccc3cc(F)ccc3n2)CCC1.CC1[C-]=C(c2ccc3ccc(F)cc3n2)CCC1.CC1[C-]=C(c2nc3ccccc3cc2C(F)(F)F)CCC1.FC(F)(F)c1cc2ccccc2nc1C1=[C-]CCCC1.Fc1ccc2ccc(C3=[C-]CCCC3)nc2c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H15F3N.C16H13F3N.2C16H15FN.C15H13FN.5C11H24O2.5Ir/c1-11-5-4-7-13(9-11)16-14(17(18,19)20)10-12-6-2-3-8-15(12)21-16;17-16(18,19)13-10-12-8-4-5-9-14(12)20-15(13)11-6-2-1-3-7-11;1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(17)10-16(12)18-15;1-11-3-2-4-12(9-11)15-7-5-13-10-14(17)6-8-16(13)18-15;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h2-3,6,8,10-11H,4-5,7H2,1H3;4-5,8-10H,1-3,6H2;2*5-8,10-11H,2-4H2,1H3;6-10H,1-4H2;5*8-9,12-13H,7H2,1-6H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyMFSSQFOOOSTRDM-UHFFFAOYSA-N
MW3176.10 g/mol
LogP34.11
Rot. Bonds15

About 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)

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) (PubChem CID 157247494) has the molecular formula C135H191F9Ir5N5O10-5 and a molecular weight of 3176.10 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-(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)
PubChem CID157247494
Molecular FormulaC135H191F9Ir5N5O10-5
Molecular Weight3176.10 g/mol
Exact Mass3178.26
IUPAC Name2-(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)
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.CC(C)(C)C(O)CC(O)C(C)(C)C.CC1[C-]=C(c2ccc3cc(F)ccc3n2)CCC1.CC1[C-]=C(c2ccc3ccc(F)cc3n2)CCC1.CC1[C-]=C(c2nc3ccccc3cc2C(F)(F)F)CCC1.FC(F)(F)c1cc2ccccc2nc1C1=[C-]CCCC1.Fc1ccc2ccc(C3=[C-]CCCC3)nc2c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H15F3N.C16H13F3N.2C16H15FN.C15H13FN.5C11H24O2.5Ir/c1-11-5-4-7-13(9-11)16-14(17(18,19)20)10-12-6-2-3-8-15(12)21-16;17-16(18,19)13-10-12-8-4-5-9-14(12)20-15(13)11-6-2-1-3-7-11;1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(17)10-16(12)18-15;1-11-3-2-4-12(9-11)15-7-5-13-10-14(17)6-8-16(13)18-15;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h2-3,6,8,10-11H,4-5,7H2,1H3;4-5,8-10H,1-3,6H2;2*5-8,10-11H,2-4H2,1H3;6-10H,1-4H2;5*8-9,12-13H,7H2,1-6H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyMFSSQFOOOSTRDM-UHFFFAOYSA-N
XLogP34.11
TPSA266.75 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003176.10
LogP ≤ 534.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

Bis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline);tris(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentakis(pentane-2,4-diol);bis(2-phenyl-3-phenylquinoxaline);platinum
CID 157644597
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-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);tris(2-(3H-naphthalen-3-id-2-yl)quinoline);2-(4-phenylbenzene-6-id-1-yl)quinoline;1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one;1,1,1-trifluoro-4-hydroxypent-3-en-2-one;tetrakis(tritiomethane)
CID 157851225
2-(2,4-Difluorobenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-phenylquinoline;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 158028811
Pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 158069705
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-(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
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
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)
CID 158511562
Pentakis(iridium);4-methyl-2-(2-phenylethenyl)quinoline;2-(2-naphthalen-1-ylethenyl)pyridine;pentakis(pentane-2,4-diol);2-(2-phenylethenyl)pyridine;2-(2-phenylethenyl)quinoline;2-(2-phenylethenyl)-5-(trifluoromethyl)pyridine
CID 158618877
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)-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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) 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.CC(C)(C)C(O)CC(O)C(C)(C)C.CC1[C-]=C(c2ccc3cc(F)ccc3n2)CCC1.CC1[C-]=C(c2ccc3ccc(F)cc3n2)CCC1.CC1[C-]=C(c2nc3ccccc3cc2C(F)(F)F)CCC1.FC(F)(F)c1cc2ccccc2nc1C1=[C-]CCCC1.Fc1ccc2ccc(C3=[C-]CCCC3)nc2c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is MFSSQFOOOSTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N.C16H13F3N.2C16H15FN.C15H13FN.5C11H24O2.5Ir/c1-11-5-4-7-13(9-11)16-14(17(18,19)20)10-12-6-2-3-8-15(12)21-16;17-16(18,19)13-10-12-8-4-5-9-14(12)20-15(13)11-6-2-1-3-7-11;1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(17)10-16(12)18-15;1-11-3-2-4-12(9-11)15-7-5-13-10-14(17)6-8-16(13)18-15;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h2-3,6,8,10-11H,4-5,7H2,1H3;4-5,8-10H,1-3,6H2;2*5-8,10-11H,2-4H2,1H3;6-10H,1-4H2;5*8-9,12-13H,7H2,1-6H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3176.10 g/mol, XLogP of 34.11, 15 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157247494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).