9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole

C21H12ClIN4 — CID 138461033

IUPAC9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole
SMILESClc1nc(-c2cccc(I)c2)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C21H12ClIN4/c22-20-24-19(13-6-5-7-14(23)12-13)25-21(26-20)27-17-10-3-1-8-15(17)16-9-2-4-11-18(16)27/h1-12H
InChIKeyJQJATCRFRYYVFX-UHFFFAOYSA-N
MW482.71 g/mol
LogP5.89
Rot. Bonds2

About 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole

9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 138461033) has the molecular formula C21H12ClIN4 and a molecular weight of 482.71 g/mol. Its IUPAC name is 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID138461033
Molecular FormulaC21H12ClIN4
Molecular Weight482.71 g/mol
Exact Mass481.98
IUPAC Name9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole
SMILESClc1nc(-c2cccc(I)c2)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C21H12ClIN4/c22-20-24-19(13-6-5-7-14(23)12-13)25-21(26-20)27-17-10-3-1-8-15(17)16-9-2-4-11-18(16)27/h1-12H
InChIKeyJQJATCRFRYYVFX-UHFFFAOYSA-N
XLogP5.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole 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

9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
CID 178064886
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-[4-(4-chlorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155445890
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
2-chloro-4,6-diphenylpyrimidine;2,3-di(carbazol-9-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 157469251
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970

Frequently Asked Questions

What is the IUPAC name of 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole (CID 138461033) is 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole is Clc1nc(-c2cccc(I)c2)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is JQJATCRFRYYVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClIN4/c22-20-24-19(13-6-5-7-14(23)12-13)25-21(26-20)27-17-10-3-1-8-15(17)16-9-2-4-11-18(16)27/h1-12H.
What are the key properties of 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole?
9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 482.71 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 138461033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).