iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide

C27H25IrN2- — CID 59359178

IUPACiridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide
SMILESCc1cc(C)c(-c2cc[c-]c3c2c2cc(C)c(C)cc2c2cc(C)nn32)c(C)c1.[Ir]
InChIInChI=1S/C27H25N2.Ir/c1-15-10-18(4)26(19(5)11-15)21-8-7-9-24-27(21)23-13-17(3)16(2)12-22(23)25-14-20(6)28-29(24)25;/h7-8,10-14H,1-6H3;/q-1;
InChIKeyBVWNBZORITWGDI-UHFFFAOYSA-N
MW569.73 g/mol
LogP6.96
Rot. Bonds1

About iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide

iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide (PubChem CID 59359178) has the molecular formula C27H25IrN2- and a molecular weight of 569.73 g/mol. Its IUPAC name is iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide.

Molecular Properties

Compound Nameiridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide
PubChem CID59359178
Molecular FormulaC27H25IrN2-
Molecular Weight569.73 g/mol
Exact Mass570.17
IUPAC Nameiridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide
SMILESCc1cc(C)c(-c2cc[c-]c3c2c2cc(C)c(C)cc2c2cc(C)nn32)c(C)c1.[Ir]
InChIInChI=1S/C27H25N2.Ir/c1-15-10-18(4)26(19(5)11-15)21-8-7-9-24-27(21)23-13-17(3)16(2)12-22(23)25-14-20(6)28-29(24)25;/h7-8,10-14H,1-6H3;/q-1;
InChIKeyBVWNBZORITWGDI-UHFFFAOYSA-N
XLogP6.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
CID 59358903
iridium;6-(2,4,6-trimethylphenyl)-8-(1,2,5-trimethylpyrrol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 59359304
9-(2,6-dimethylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358812
8-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-f]phenanthridine
CID 59359208
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile
CID 59358296
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 22474421
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358822
iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 59359036
CID 161114055
CID 161114055
CID 137158148
CID 137158148

Frequently Asked Questions

What is the IUPAC name of iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The IUPAC name of iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide (CID 59359178) is iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide.
What is the SMILES notation for iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The canonical SMILES for iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide is Cc1cc(C)c(-c2cc[c-]c3c2c2cc(C)c(C)cc2c2cc(C)nn32)c(C)c1.[Ir].
What is the InChIKey of iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The InChIKey is BVWNBZORITWGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2.Ir/c1-15-10-18(4)26(19(5)11-15)21-8-7-9-24-27(21)23-13-17(3)16(2)12-22(23)25-14-20(6)28-29(24)25;/h7-8,10-14H,1-6H3;/q-1;.
What are the key properties of iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide has a molecular weight of 569.73 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide is sourced from PubChem (CID 59359178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).