iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol

C20H23IrN2O2- — CID 58219448

IUPACiridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol
SMILESCC(O)CC(C)O.Cc1nccnc1-c1[c-]ccc2ccccc12.[Ir]
InChIInChI=1S/C15H11N2.C5H12O2.Ir/c1-11-15(17-10-9-16-11)14-8-4-6-12-5-2-3-7-13(12)14;1-4(6)3-5(2)7;/h2-7,9-10H,1H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyJLCMEZYIVHYBQA-UHFFFAOYSA-N
MW515.63 g/mol
LogP3.54
Rot. Bonds3

About iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol

iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol (PubChem CID 58219448) has the molecular formula C20H23IrN2O2- and a molecular weight of 515.63 g/mol. Its IUPAC name is iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol.

Molecular Properties

Compound Nameiridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol
PubChem CID58219448
Molecular FormulaC20H23IrN2O2-
Molecular Weight515.63 g/mol
Exact Mass516.14
IUPAC Nameiridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol
SMILESCC(O)CC(C)O.Cc1nccnc1-c1[c-]ccc2ccccc12.[Ir]
InChIInChI=1S/C15H11N2.C5H12O2.Ir/c1-11-15(17-10-9-16-11)14-8-4-6-12-5-2-3-7-13(12)14;1-4(6)3-5(2)7;/h2-7,9-10H,1H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyJLCMEZYIVHYBQA-UHFFFAOYSA-N
XLogP3.54
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.63
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-2-(6-naphthalen-1-yl-2H-naphthalen-2-id-1-yl)pyrazine;iridium;pentane-2,4-diol
CID 58461043
5,5-dimethylhexane-2,4-diol;iridium;2-methyl-3-phenylpyrazine
CID 59844775
iridium;4-(2H-naphthalen-2-id-1-yl)thieno[3,2-c]pyridine;pent-2-ene-2,4-diol
CID 146899299
iridium;pentane-2,4-diol;1-[4-(trifluoromethoxy)benzene-6-id-1-yl]isoquinoline
CID 58841512
iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine
CID 154600620
iridium;pentane-2,4-diol;2,3,5-trimethyl-6-(4-naphthalen-1-ylbenzene-6-id-1-yl)pyrazine
CID 58461111
4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
CID 164804327
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyrazine;iridium;pentane-2,4-diol
CID 58894569
2-(11,11-dimethyl-9H-benzo[a]fluoren-9-id-10-yl)pyridine;1,1,1,5,5,5-hexadeuteriopentane-2,4-diol;iridium
CID 168745310
iridium(3+);1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine
CID 59702665
iridium(3+);4-(2H-naphthalen-2-id-1-yl)thieno[3,2-c]pyridine;[phenyl(propan-2-ylazanidyl)methyl]-propan-2-ylazanide
CID 140678546

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol?
The IUPAC name of iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol (CID 58219448) is iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol.
What is the SMILES notation for iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol?
The canonical SMILES for iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol is CC(O)CC(C)O.Cc1nccnc1-c1[c-]ccc2ccccc12.[Ir].
What is the InChIKey of iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol?
The InChIKey is JLCMEZYIVHYBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.C5H12O2.Ir/c1-11-15(17-10-9-16-11)14-8-4-6-12-5-2-3-7-13(12)14;1-4(6)3-5(2)7;/h2-7,9-10H,1H3;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol?
iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol has a molecular weight of 515.63 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol is sourced from PubChem (CID 58219448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).