iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide

C24H15F3IrN4-2 — CID 140724057

IUPACiridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide
SMILESFC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3nccnc32)c1.[Ir]
InChIInChI=1S/C24H15F3N4.Ir/c25-24(26,27)21-12-5-4-11-20(21)17-7-6-10-19(15-17)31-16-30(18-8-2-1-3-9-18)22-23(31)29-14-13-28-22;/h1-9,11-16H;/q-2;
InChIKeyOUNRSYQDNNOVSM-UHFFFAOYSA-N
MW608.62 g/mol
LogP6.37
Rot. Bonds3

About iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide

iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide (PubChem CID 140724057) has the molecular formula C24H15F3IrN4-2 and a molecular weight of 608.62 g/mol. Its IUPAC name is iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide.

Molecular Properties

Compound Nameiridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide
PubChem CID140724057
Molecular FormulaC24H15F3IrN4-2
Molecular Weight608.62 g/mol
Exact Mass609.09
IUPAC Nameiridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide
SMILESFC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3nccnc32)c1.[Ir]
InChIInChI=1S/C24H15F3N4.Ir/c25-24(26,27)21-12-5-4-11-20(21)17-7-6-10-19(15-17)31-16-30(18-8-2-1-3-9-18)22-23(31)29-14-13-28-22;/h1-9,11-16H;/q-2;
InChIKeyOUNRSYQDNNOVSM-UHFFFAOYSA-N
XLogP6.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.62
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-5-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44418319
(3R,4S)-4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 137635115
2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
CID 142482715
2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
CID 142482724
2-N,3-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
CID 142482730
6-Methyl-2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51359816
2-Cyclohexyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51359993
2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 140742869
2-N,3-N-bis[2-fluoro-5-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
CID 142482642
2-N,3-N-bis[2-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
CID 142482672
2-[4-(2-Fluorophenyl)piperazin-1-yl]-6-(o-tolyl)pyrazine
CID 6482771
1-[1-(4-Fluorophenyl)-4-(o-tolylmethyl)pyrrol-2-yl]-4-methyl-piperazine
CID 16728519

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?
The IUPAC name of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide (CID 140724057) is iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide.
What is the SMILES notation for iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?
The canonical SMILES for iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide is FC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3nccnc32)c1.[Ir].
What is the InChIKey of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?
The InChIKey is OUNRSYQDNNOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4.Ir/c25-24(26,27)21-12-5-4-11-20(21)17-7-6-10-19(15-17)31-16-30(18-8-2-1-3-9-18)22-23(31)29-14-13-28-22;/h1-9,11-16H;/q-2;.
What are the key properties of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?
iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide has a molecular weight of 608.62 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide is sourced from PubChem (CID 140724057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).