4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole

C23H14Cl2F2N2 — CID 10137327

IUPAC4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole
SMILESFc1ccc(C(c2c[nH]c3cccc(Cl)c23)c2c[nH]c3cccc(Cl)c23)c(F)c1
InChIInChI=1S/C23H14Cl2F2N2/c24-16-3-1-5-19-22(16)14(10-28-19)21(13-8-7-12(26)9-18(13)27)15-11-29-20-6-2-4-17(25)23(15)20/h1-11,21,28-29H
InChIKeyQCQIOYWRFMATNQ-UHFFFAOYSA-N
MW427.28 g/mol
LogP7.41
Rot. Bonds3

About 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole

4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole (PubChem CID 10137327) has the molecular formula C23H14Cl2F2N2 and a molecular weight of 427.28 g/mol. Its IUPAC name is 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole
PubChem CID10137327
Molecular FormulaC23H14Cl2F2N2
Molecular Weight427.28 g/mol
Exact Mass426.05
IUPAC Name4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole
SMILESFc1ccc(C(c2c[nH]c3cccc(Cl)c23)c2c[nH]c3cccc(Cl)c23)c(F)c1
InChIInChI=1S/C23H14Cl2F2N2/c24-16-3-1-5-19-22(16)14(10-28-19)21(13-8-7-12(26)9-18(13)27)15-11-29-20-6-2-4-17(25)23(15)20/h1-11,21,28-29H
InChIKeyQCQIOYWRFMATNQ-UHFFFAOYSA-N
XLogP7.41
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.28
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole 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

3,3'-Diindolylmethane
CID 3071
5-Chlorotryptamine
CID 77379
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
3-Indolecarboxylaldehyde, azine
CID 135400613
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 11617028
5-chloro-6-(5-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11631784
3,3'-(2-pyridinylmethylene)bis-1H-indole
CID 2907031
3-((1H-Indol-2-yl)methyl)-1H-indole
CID 10900930
Lynamicin C
CID 11385005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole?
The IUPAC name of 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole (CID 10137327) is 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole.
What is the SMILES notation for 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole?
The canonical SMILES for 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole is Fc1ccc(C(c2c[nH]c3cccc(Cl)c23)c2c[nH]c3cccc(Cl)c23)c(F)c1.
What is the InChIKey of 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole?
The InChIKey is QCQIOYWRFMATNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F2N2/c24-16-3-1-5-19-22(16)14(10-28-19)21(13-8-7-12(26)9-18(13)27)15-11-29-20-6-2-4-17(25)23(15)20/h1-11,21,28-29H.
What are the key properties of 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole?
4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole has a molecular weight of 427.28 g/mol, XLogP of 7.41, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chloro-1H-indol-3-yl)-(2,4-difluorophenyl)methyl]-1H-indole is sourced from PubChem (CID 10137327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).