9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

C29H20IrN3- — CID 59358170

IUPAC9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILESCc1cnn2c3[c-]cc(Cn4c5ccccc5c5ccccc54)cc3c3ccccc3c12.[Ir]
InChIInChI=1S/C29H20N3.Ir/c1-19-17-30-32-28-15-14-20(16-25(28)21-8-2-3-11-24(21)29(19)32)18-31-26-12-6-4-9-22(26)23-10-5-7-13-27(23)31;/h2-14,16-17H,18H2,1H3;/q-1;
InChIKeyIZLATHBXGAWPMG-UHFFFAOYSA-N
MW602.72 g/mol
LogP6.90
Rot. Bonds2

About 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (PubChem CID 59358170) has the molecular formula C29H20IrN3- and a molecular weight of 602.72 g/mol. Its IUPAC name is 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.

Molecular Properties

Compound Name9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
PubChem CID59358170
Molecular FormulaC29H20IrN3-
Molecular Weight602.72 g/mol
Exact Mass603.13
IUPAC Name9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILESCc1cnn2c3[c-]cc(Cn4c5ccccc5c5ccccc54)cc3c3ccccc3c12.[Ir]
InChIInChI=1S/C29H20N3.Ir/c1-19-17-30-32-28-15-14-20(16-25(28)21-8-2-3-11-24(21)29(19)32)18-31-26-12-6-4-9-22(26)23-10-5-7-13-27(23)31;/h2-14,16-17H,18H2,1H3;/q-1;
InChIKeyIZLATHBXGAWPMG-UHFFFAOYSA-N
XLogP6.90
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.72
LogP ≤ 56.90
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'}

Analyze 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium 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

Dihydropyrrolopyrazole, 7d
CID 9946092
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline
CID 11594137
4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoline
CID 21992678
4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992913
4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 23546124
4-(2-(5-fluoropyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 44345925
1,2,3,4-tetramethyl-8-phenyl-2H-dipyrrolo[1,2-b:3',4'-d]pyridazine
CID 946227
4-(3-Methyl-1-phenylpyrazol-4-yl)quinoline
CID 70687762

Frequently Asked Questions

What is the IUPAC name of 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The IUPAC name of 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (CID 59358170) is 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.
What is the SMILES notation for 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The canonical SMILES for 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is Cc1cnn2c3[c-]cc(Cn4c5ccccc5c5ccccc54)cc3c3ccccc3c12.[Ir].
What is the InChIKey of 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The InChIKey is IZLATHBXGAWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N3.Ir/c1-19-17-30-32-28-15-14-20(16-25(28)21-8-2-3-11-24(21)29(19)32)18-31-26-12-6-4-9-22(26)23-10-5-7-13-27(23)31;/h2-14,16-17H,18H2,1H3;/q-1;.
What are the key properties of 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium has a molecular weight of 602.72 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is sourced from PubChem (CID 59358170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).