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

C104H117F3Ir5N5O10-5 — CID 158618877

IUPACpentakis(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
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc(/C=[C-]/c2ccccc2)nc2ccccc12.FC(F)(F)c1ccc(/C=[C-]/c2ccccc2)nc1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[C-](=C/c1ccccn1)\c1cccc2ccccc12.[C-](=C/c1ccccn1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H14N.2C17H12N.C14H9F3N.C13H10N.5C5H12O2.5Ir/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18;1-2-10-17-14(6-1)7-5-8-15(17)11-12-16-9-3-4-13-18-16;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;15-14(16,17)12-7-9-13(18-10-12)8-6-11-4-2-1-3-5-11;1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;5*1-4(6)3-5(2)7;;;;;/h2-10,12-13H,1H3;1-10,12-13H;1-9,11-13H;1-5,7-10H;1-8,10-11H;5*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyNRJBOXHKNWLXRE-UHFFFAOYSA-N
MW2615.18 g/mol
LogP20.20
Rot. Bonds20

About 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

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 (PubChem CID 158618877) has the molecular formula C104H117F3Ir5N5O10-5 and a molecular weight of 2615.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepentakis(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
PubChem CID158618877
Molecular FormulaC104H117F3Ir5N5O10-5
Molecular Weight2615.18 g/mol
Exact Mass2617.69
IUPAC Namepentakis(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
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc(/C=[C-]/c2ccccc2)nc2ccccc12.FC(F)(F)c1ccc(/C=[C-]/c2ccccc2)nc1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[C-](=C/c1ccccn1)\c1cccc2ccccc12.[C-](=C/c1ccccn1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H14N.2C17H12N.C14H9F3N.C13H10N.5C5H12O2.5Ir/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18;1-2-10-17-14(6-1)7-5-8-15(17)11-12-16-9-3-4-13-18-16;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;15-14(16,17)12-7-9-13(18-10-12)8-6-11-4-2-1-3-5-11;1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;5*1-4(6)3-5(2)7;;;;;/h2-10,12-13H,1H3;1-10,12-13H;1-9,11-13H;1-5,7-10H;1-8,10-11H;5*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyNRJBOXHKNWLXRE-UHFFFAOYSA-N
XLogP20.20
TPSA266.75 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002615.18
LogP ≤ 520.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

iridium;3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;pentane-2,4-diol;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide
CID 58299274
iridium;pentane-2,4-diol;9-phenyl-4H-carbazol-4-ide;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;3-(trifluoromethyl)pyridine
CID 59449566
iridium;pentane-2,4-diol;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide)
CID 59449600
CID 157124150
CID 157124150
CID 157244437
CID 157244437
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
CID 157255877
CID 157255877
tris(1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline);1-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;1-fluoro-4-[4-(trifluoromethyl)benzene-6-id-1-yl]benzene-5-ide;bis(4-hydroxypentan-2-one);5-hydroxy-2,2,6,6-tetramethylheptan-3-one;pentakis(iridium);9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 157319513
CID 157639751
CID 157639751
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;1-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)isoquinoline;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 157832620
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;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 157894331
1-(3-Butyl-2-fluorobenzene-6-id-1-yl)isoquinoline;1-(3-butyl-2-methylbenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157959648

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc(/C=[C-]/c2ccccc2)nc2ccccc12.FC(F)(F)c1ccc(/C=[C-]/c2ccccc2)nc1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[C-](=C/c1ccccn1)\c1cccc2ccccc12.[C-](=C/c1ccccn1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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?
The InChIKey is NRJBOXHKNWLXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.2C17H12N.C14H9F3N.C13H10N.5C5H12O2.5Ir/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18;1-2-10-17-14(6-1)7-5-8-15(17)11-12-16-9-3-4-13-18-16;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;15-14(16,17)12-7-9-13(18-10-12)8-6-11-4-2-1-3-5-11;1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;5*1-4(6)3-5(2)7;;;;;/h2-10,12-13H,1H3;1-10,12-13H;1-9,11-13H;1-5,7-10H;1-8,10-11H;5*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2615.18 g/mol, XLogP of 20.20, 20 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158618877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).