iridium;5-naphthalen-2-yl-1-phenylpyrazole

C19H13IrN2- — CID 153435553

IUPACiridium;5-naphthalen-2-yl-1-phenylpyrazole
SMILES[Ir].[c-]1ccccc1-n1nccc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H13N2.Ir/c1-2-8-18(9-3-1)21-19(12-13-20-21)17-11-10-15-6-4-5-7-16(15)14-17;/h1-8,10-14H;/q-1;
InChIKeyGMYIPFSMBFZYHF-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.49
Rot. Bonds2

About iridium;5-naphthalen-2-yl-1-phenylpyrazole

iridium;5-naphthalen-2-yl-1-phenylpyrazole (PubChem CID 153435553) has the molecular formula C19H13IrN2- and a molecular weight of 461.54 g/mol. Its IUPAC name is iridium;5-naphthalen-2-yl-1-phenylpyrazole.

Molecular Properties

Compound Nameiridium;5-naphthalen-2-yl-1-phenylpyrazole
PubChem CID153435553
Molecular FormulaC19H13IrN2-
Molecular Weight461.54 g/mol
Exact Mass462.07
IUPAC Nameiridium;5-naphthalen-2-yl-1-phenylpyrazole
SMILES[Ir].[c-]1ccccc1-n1nccc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H13N2.Ir/c1-2-8-18(9-3-1)21-19(12-13-20-21)17-11-10-15-6-4-5-7-16(15)14-17;/h1-8,10-14H;/q-1;
InChIKeyGMYIPFSMBFZYHF-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-phenylquinoline;1-phenyl-5-(2,4,6-trimethylphenyl)pyrazole
CID 157261228
5-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-1-phenylpyrazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 153276327
7-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900903
6-naphthalen-2-ylisoquinoline
CID 59724414
9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
CID 164703547
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
CID 90030830
9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium
CID 164703566
9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
CID 164703595
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
CID 107330966
3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine
CID 66498426
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of iridium;5-naphthalen-2-yl-1-phenylpyrazole?
The IUPAC name of iridium;5-naphthalen-2-yl-1-phenylpyrazole (CID 153435553) is iridium;5-naphthalen-2-yl-1-phenylpyrazole.
What is the SMILES notation for iridium;5-naphthalen-2-yl-1-phenylpyrazole?
The canonical SMILES for iridium;5-naphthalen-2-yl-1-phenylpyrazole is [Ir].[c-]1ccccc1-n1nccc1-c1ccc2ccccc2c1.
What is the InChIKey of iridium;5-naphthalen-2-yl-1-phenylpyrazole?
The InChIKey is GMYIPFSMBFZYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2.Ir/c1-2-8-18(9-3-1)21-19(12-13-20-21)17-11-10-15-6-4-5-7-16(15)14-17;/h1-8,10-14H;/q-1;.
What are the key properties of iridium;5-naphthalen-2-yl-1-phenylpyrazole?
iridium;5-naphthalen-2-yl-1-phenylpyrazole has a molecular weight of 461.54 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-naphthalen-2-yl-1-phenylpyrazole is sourced from PubChem (CID 153435553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).