7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide

C105H65F3Ir5N13S-5 — CID 158035796

IUPAC7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1ccc(-c2cc[c-]c3c2ccn2ccnc32)s1.FC(F)(F)c1ccccc1-c1cnc2c3[c-]cccc3ccn12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccn3ccnc3c12.[c-]1ccc(-n2c3ccccc3c3ccccc32)c2ccn3ccnc3c12.[c-]1ccc(-n2ccc3ccccc32)c2ccn3ccnc3c12
InChIInChI=1S/C29H18N3.C23H14N3.C19H12N3.C18H10F3N2.C16H11N2S.5Ir/c1-2-7-21(8-3-1)32-27-12-5-4-9-24(27)26-19-20(13-14-28(26)32)22-10-6-11-25-23(22)15-17-31-18-16-30-29(25)31;1-3-9-20-16(6-1)17-7-2-4-10-21(17)26(20)22-11-5-8-19-18(22)12-14-25-15-13-24-23(19)25;1-2-6-17-14(4-1)8-12-22(17)18-7-3-5-16-15(18)9-11-21-13-10-20-19(16)21;19-18(20,21)15-8-4-3-7-14(15)16-11-22-17-13-6-2-1-5-12(13)9-10-23(16)17;1-11-5-6-15(19-11)13-3-2-4-14-12(13)7-9-18-10-8-17-16(14)18;;;;;/h1-10,12-19H;1-7,9-15H;1-4,6-13H;1-5,7-11H;2-3,5-10H,1H3;;;;;/q5*-1;;;;;
InChIKeyAFWORBVJVADFJW-UHFFFAOYSA-N
MW2558.91 g/mol
LogP25.95
Rot. Bonds6

About 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide

7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide (PubChem CID 158035796) has the molecular formula C105H65F3Ir5N13S-5 and a molecular weight of 2558.91 g/mol. Its IUPAC name is 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Name7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
PubChem CID158035796
Molecular FormulaC105H65F3Ir5N13S-5
Molecular Weight2558.91 g/mol
Exact Mass2561.33
IUPAC Name7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1ccc(-c2cc[c-]c3c2ccn2ccnc32)s1.FC(F)(F)c1ccccc1-c1cnc2c3[c-]cccc3ccn12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccn3ccnc3c12.[c-]1ccc(-n2c3ccccc3c3ccccc32)c2ccn3ccnc3c12.[c-]1ccc(-n2ccc3ccccc32)c2ccn3ccnc3c12
InChIInChI=1S/C29H18N3.C23H14N3.C19H12N3.C18H10F3N2.C16H11N2S.5Ir/c1-2-7-21(8-3-1)32-27-12-5-4-9-24(27)26-19-20(13-14-28(26)32)22-10-6-11-25-23(22)15-17-31-18-16-30-29(25)31;1-3-9-20-16(6-1)17-7-2-4-10-21(17)26(20)22-11-5-8-19-18(22)12-14-25-15-13-24-23(19)25;1-2-6-17-14(4-1)8-12-22(17)18-7-3-5-16-15(18)9-11-21-13-10-20-19(16)21;19-18(20,21)15-8-4-3-7-14(15)16-11-22-17-13-6-2-1-5-12(13)9-10-23(16)17;1-11-5-6-15(19-11)13-3-2-4-14-12(13)7-9-18-10-8-17-16(14)18;;;;;/h1-10,12-19H;1-7,9-15H;1-4,6-13H;1-5,7-11H;2-3,5-10H,1H3;;;;;/q5*-1;;;;;
InChIKeyAFWORBVJVADFJW-UHFFFAOYSA-N
XLogP25.95
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002558.91
LogP ≤ 525.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
The IUPAC name of 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide (CID 158035796) is 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide.
What is the SMILES notation for 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
The canonical SMILES for 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide is Cc1ccc(-c2cc[c-]c3c2ccn2ccnc32)s1.FC(F)(F)c1ccccc1-c1cnc2c3[c-]cccc3ccn12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccn3ccnc3c12.[c-]1ccc(-n2c3ccccc3c3ccccc32)c2ccn3ccnc3c12.[c-]1ccc(-n2ccc3ccccc32)c2ccn3ccnc3c12.
What is the InChIKey of 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
The InChIKey is AFWORBVJVADFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N3.C23H14N3.C19H12N3.C18H10F3N2.C16H11N2S.5Ir/c1-2-7-21(8-3-1)32-27-12-5-4-9-24(27)26-19-20(13-14-28(26)32)22-10-6-11-25-23(22)15-17-31-18-16-30-29(25)31;1-3-9-20-16(6-1)17-7-2-4-10-21(17)26(20)22-11-5-8-19-18(22)12-14-25-15-13-24-23(19)25;1-2-6-17-14(4-1)8-12-22(17)18-7-3-5-16-15(18)9-11-21-13-10-20-19(16)21;19-18(20,21)15-8-4-3-7-14(15)16-11-22-17-13-6-2-1-5-12(13)9-10-23(16)17;1-11-5-6-15(19-11)13-3-2-4-14-12(13)7-9-18-10-8-17-16(14)18;;;;;/h1-10,12-19H;1-7,9-15H;1-4,6-13H;1-5,7-11H;2-3,5-10H,1H3;;;;;/q5*-1;;;;;.
What are the key properties of 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide has a molecular weight of 2558.91 g/mol, XLogP of 25.95, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide is sourced from PubChem (CID 158035796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).