iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide

C34H19F3IrN3- — CID 59358824

IUPACiridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6ccccc6c6ccc[c-]c6c5n4)cc3)ccc21.[Ir]
InChIInChI=1S/C34H19F3N3.Ir/c35-34(36,37)40-31-12-6-4-9-26(31)28-19-23(17-18-32(28)40)21-13-15-22(16-14-21)29-20-39-30-11-5-3-8-25(30)24-7-1-2-10-27(24)33(39)38-29;/h1-9,11-20H;/q-1;
InChIKeyVJFORCQWFJBOGH-UHFFFAOYSA-N
MW718.76 g/mol
LogP9.36
Rot. Bonds2

About iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide

iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 59358824) has the molecular formula C34H19F3IrN3- and a molecular weight of 718.76 g/mol. Its IUPAC name is iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Nameiridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID59358824
Molecular FormulaC34H19F3IrN3-
Molecular Weight718.76 g/mol
Exact Mass719.12
IUPAC Nameiridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6ccccc6c6ccc[c-]c6c5n4)cc3)ccc21.[Ir]
InChIInChI=1S/C34H19F3N3.Ir/c35-34(36,37)40-31-12-6-4-9-26(31)28-19-23(17-18-32(28)40)21-13-15-22(16-14-21)29-20-39-30-11-5-3-8-25(30)24-7-1-2-10-27(24)33(39)38-29;/h1-9,11-20H;/q-1;
InChIKeyVJFORCQWFJBOGH-UHFFFAOYSA-N
XLogP9.36
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.76
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 59358824) is iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide is FC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6ccccc6c6ccc[c-]c6c5n4)cc3)ccc21.[Ir].
What is the InChIKey of iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is VJFORCQWFJBOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19F3N3.Ir/c35-34(36,37)40-31-12-6-4-9-26(31)28-19-23(17-18-32(28)40)21-13-15-22(16-14-21)29-20-39-30-11-5-3-8-25(30)24-7-1-2-10-27(24)33(39)38-29;/h1-9,11-20H;/q-1;.
What are the key properties of iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 718.76 g/mol, XLogP of 9.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 59358824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).