3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole

C23H17ClN2 — CID 5302583

IUPAC3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
SMILESClc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17ClN2/c24-16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H
InChIKeyLTLRXTDMXOFBDW-UHFFFAOYSA-N
MW356.86 g/mol
LogP6.48
Rot. Bonds3

About 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole

3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 5302583) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID5302583
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
SMILESClc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17ClN2/c24-16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H
InChIKeyLTLRXTDMXOFBDW-UHFFFAOYSA-N
XLogP6.48
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole (CID 5302583) is 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole is Clc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is LTLRXTDMXOFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H.
What are the key properties of 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 356.86 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 5302583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).