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

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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).