iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline

C22H16IrN- — CID 155609024

IUPACiridium;1-(2-methanidylphenyl)-4-phenylisoquinoline
SMILES[CH2-]c1ccccc1-c1ncc(-c2ccccc2)c2ccccc12.[Ir]
InChIInChI=1S/C22H16N.Ir/c1-16-9-5-6-12-18(16)22-20-14-8-7-13-19(20)21(15-23-22)17-10-3-2-4-11-17;/h2-15H,1H2;/q-1;
InChIKeyMCOXGVKXUVNJIH-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.75
Rot. Bonds2

About iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline

iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline (PubChem CID 155609024) has the molecular formula C22H16IrN- and a molecular weight of 486.59 g/mol. Its IUPAC name is iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline.

Molecular Properties

Compound Nameiridium;1-(2-methanidylphenyl)-4-phenylisoquinoline
PubChem CID155609024
Molecular FormulaC22H16IrN-
Molecular Weight486.59 g/mol
Exact Mass487.09
IUPAC Nameiridium;1-(2-methanidylphenyl)-4-phenylisoquinoline
SMILES[CH2-]c1ccccc1-c1ncc(-c2ccccc2)c2ccccc12.[Ir]
InChIInChI=1S/C22H16N.Ir/c1-16-9-5-6-12-18(16)22-20-14-8-7-13-19(20)21(15-23-22)17-10-3-2-4-11-17;/h2-15H,1H2;/q-1;
InChIKeyMCOXGVKXUVNJIH-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;4-phenyl-1-phenylisoquinoline
CID 58240172
1,4,5,8-tetraphenyl-2,6-naphthyridine
CID 13154164
1-cyclohexa-1,5-dien-1-yl-4-phenylisoquinoline
CID 140797896
1-methyl-4-phenylisoquinoline;dihydrochloride
CID 70514561
5-chloro-8-phenylpyrido[3,4-d]pyridazine
CID 14241246
1-(dichloromethyl)-4-phenylisoquinoline
CID 139599954
4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
CID 118564017
methyl 2-(1-phenylisoquinolin-4-yl)benzoate
CID 147957016
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
bis(3,4-diphenylquinoline);hydrate
CID 139201276
4-naphthalen-1-yl-8-phenylquinazoline
CID 166801148
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540

Frequently Asked Questions

What is the IUPAC name of iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline?
The IUPAC name of iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline (CID 155609024) is iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline.
What is the SMILES notation for iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline?
The canonical SMILES for iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline is [CH2-]c1ccccc1-c1ncc(-c2ccccc2)c2ccccc12.[Ir].
What is the InChIKey of iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline?
The InChIKey is MCOXGVKXUVNJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N.Ir/c1-16-9-5-6-12-18(16)22-20-14-8-7-13-19(20)21(15-23-22)17-10-3-2-4-11-17;/h2-15H,1H2;/q-1;.
What are the key properties of iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline?
iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline has a molecular weight of 486.59 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline is sourced from PubChem (CID 155609024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).