iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C22H12IrN3- — CID 58943943

IUPACiridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILES[C-]#[N+]c1cccc(-c2cc[c-]c3c2c2ccccc2n2ccnc32)c1.[Ir]
InChIInChI=1S/C22H12N3.Ir/c1-23-16-7-4-6-15(14-16)17-9-5-10-19-21(17)18-8-2-3-11-20(18)25-13-12-24-22(19)25;/h2-9,11-14H;/q-1;
InChIKeyLJKPXQBQQFSIRF-UHFFFAOYSA-N
MW510.58 g/mol
LogP5.66
Rot. Bonds1

About iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 58943943) has the molecular formula C22H12IrN3- and a molecular weight of 510.58 g/mol. Its IUPAC name is iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Nameiridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID58943943
Molecular FormulaC22H12IrN3-
Molecular Weight510.58 g/mol
Exact Mass511.07
IUPAC Nameiridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILES[C-]#[N+]c1cccc(-c2cc[c-]c3c2c2ccccc2n2ccnc32)c1.[Ir]
InChIInChI=1S/C22H12N3.Ir/c1-23-16-7-4-6-15(14-16)17-9-5-10-19-21(17)18-8-2-3-11-20(18)25-13-12-24-22(19)25;/h2-9,11-14H;/q-1;
InChIKeyLJKPXQBQQFSIRF-UHFFFAOYSA-N
XLogP5.66
TPSA21.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.58
LogP ≤ 55.66
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

9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
CID 159869777
CID 159869777
2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59359107
4,5-diphenylimidazo[1,2-a]quinoline
CID 135058439
CID 58262168
CID 58262168
iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
CID 58401094
7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59359096
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
20-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 140820509
2-(3-isocyanophenyl)-3-phenylpyridine
CID 168821758

Frequently Asked Questions

What is the IUPAC name of iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 58943943) is iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is [C-]#[N+]c1cccc(-c2cc[c-]c3c2c2ccccc2n2ccnc32)c1.[Ir].
What is the InChIKey of iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is LJKPXQBQQFSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N3.Ir/c1-23-16-7-4-6-15(14-16)17-9-5-10-19-21(17)18-8-2-3-11-20(18)25-13-12-24-22(19)25;/h2-9,11-14H;/q-1;.
What are the key properties of iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 510.58 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 58943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).