iridium;7-phenyl-4-phenylbenzo[f]isoquinoline

C25H16IrN- — CID 59470319

IUPACiridium;7-phenyl-4-phenylbenzo[f]isoquinoline
SMILES[Ir].[c-]1ccccc1-c1nccc2c1ccc1c(-c3ccccc3)cccc12
InChIInChI=1S/C25H16N.Ir/c1-3-8-18(9-4-1)20-12-7-13-21-22(20)14-15-24-23(21)16-17-26-25(24)19-10-5-2-6-11-19;/h1-10,12-17H;/q-1;
InChIKeyZVMBBZBAOXPBTC-UHFFFAOYSA-N
MW522.63 g/mol
LogP6.52
Rot. Bonds2

About iridium;7-phenyl-4-phenylbenzo[f]isoquinoline

iridium;7-phenyl-4-phenylbenzo[f]isoquinoline (PubChem CID 59470319) has the molecular formula C25H16IrN- and a molecular weight of 522.63 g/mol. Its IUPAC name is iridium;7-phenyl-4-phenylbenzo[f]isoquinoline.

Molecular Properties

Compound Nameiridium;7-phenyl-4-phenylbenzo[f]isoquinoline
PubChem CID59470319
Molecular FormulaC25H16IrN-
Molecular Weight522.63 g/mol
Exact Mass523.09
IUPAC Nameiridium;7-phenyl-4-phenylbenzo[f]isoquinoline
SMILES[Ir].[c-]1ccccc1-c1nccc2c1ccc1c(-c3ccccc3)cccc12
InChIInChI=1S/C25H16N.Ir/c1-3-8-18(9-4-1)20-12-7-13-21-22(20)14-15-24-23(21)16-17-26-25(24)19-10-5-2-6-11-19;/h1-10,12-17H;/q-1;
InChIKeyZVMBBZBAOXPBTC-UHFFFAOYSA-N
XLogP6.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iridium;7-phenyl-4-phenylbenzo[f]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;4-phenyl-1-phenylisoquinoline
CID 58240172
iridium;8-methyl-4-phenyl-3,7-phenanthroline
CID 168852706
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
1-(9,10-diphenyl-3H-anthracen-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775848
4-hydroxypent-3-en-2-ylideneoxidanium;bis(iridium);methane;bis(4-phenylbenzo[f]isoquinoline)
CID 158621639
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
1-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786226
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194
1-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium;1-phenylisoquinoline
CID 140587029
iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
CID 162470285
bis(3,4-dimethyl-2-phenylpyridin-1-ium);iridium;1-phenylisoquinoline
CID 160540235
CID 159550784
CID 159550784

Frequently Asked Questions

What is the IUPAC name of iridium;7-phenyl-4-phenylbenzo[f]isoquinoline?
The IUPAC name of iridium;7-phenyl-4-phenylbenzo[f]isoquinoline (CID 59470319) is iridium;7-phenyl-4-phenylbenzo[f]isoquinoline.
What is the SMILES notation for iridium;7-phenyl-4-phenylbenzo[f]isoquinoline?
The canonical SMILES for iridium;7-phenyl-4-phenylbenzo[f]isoquinoline is [Ir].[c-]1ccccc1-c1nccc2c1ccc1c(-c3ccccc3)cccc12.
What is the InChIKey of iridium;7-phenyl-4-phenylbenzo[f]isoquinoline?
The InChIKey is ZVMBBZBAOXPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N.Ir/c1-3-8-18(9-4-1)20-12-7-13-21-22(20)14-15-24-23(21)16-17-26-25(24)19-10-5-2-6-11-19;/h1-10,12-17H;/q-1;.
What are the key properties of iridium;7-phenyl-4-phenylbenzo[f]isoquinoline?
iridium;7-phenyl-4-phenylbenzo[f]isoquinoline has a molecular weight of 522.63 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;7-phenyl-4-phenylbenzo[f]isoquinoline is sourced from PubChem (CID 59470319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).