3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C23H23IrN2- — CID 59358464

IUPAC3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1ccc2c3ccc[c-]c3c3nc(C)c(C4CCCCC4)n3c2c1.[Ir]
InChIInChI=1S/C23H23N2.Ir/c1-15-12-13-19-18-10-6-7-11-20(18)23-24-16(2)22(25(23)21(19)14-15)17-8-4-3-5-9-17;/h6-7,10,12-14,17H,3-5,8-9H2,1-2H3;/q-1;
InChIKeyNUYUSAXKBLNAKF-UHFFFAOYSA-N
MW519.67 g/mol
LogP6.10
Rot. Bonds1

About 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59358464) has the molecular formula C23H23IrN2- and a molecular weight of 519.67 g/mol. Its IUPAC name is 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59358464
Molecular FormulaC23H23IrN2-
Molecular Weight519.67 g/mol
Exact Mass520.15
IUPAC Name3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1ccc2c3ccc[c-]c3c3nc(C)c(C4CCCCC4)n3c2c1.[Ir]
InChIInChI=1S/C23H23N2.Ir/c1-15-12-13-19-18-10-6-7-11-20(18)23-24-16(2)22(25(23)21(19)14-15)17-8-4-3-5-9-17;/h6-7,10,12-14,17H,3-5,8-9H2,1-2H3;/q-1;
InChIKeyNUYUSAXKBLNAKF-UHFFFAOYSA-N
XLogP6.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 56.10
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

2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358830
3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358756
3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 58202889
3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58943938
CID 157359145
CID 157359145
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358238
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
CID 158331825
CID 158331825
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
CID 58944095
CID 58944095
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59358464) is 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1ccc2c3ccc[c-]c3c3nc(C)c(C4CCCCC4)n3c2c1.[Ir].
What is the InChIKey of 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is NUYUSAXKBLNAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2.Ir/c1-15-12-13-19-18-10-6-7-11-20(18)23-24-16(2)22(25(23)21(19)14-15)17-8-4-3-5-9-17;/h6-7,10,12-14,17H,3-5,8-9H2,1-2H3;/q-1;.
What are the key properties of 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 519.67 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59358464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).