3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole

C34H34Cl3N3 — CID 142757854

IUPAC3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole
SMILESCCCn1cc(C(c2cn(CCC)c3ccc(Cl)cc23)c2cn(CCC)c3ccc(Cl)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C34H34Cl3N3/c1-4-13-38-19-28(25-16-22(35)7-10-31(25)38)34(29-20-39(14-5-2)32-11-8-23(36)17-26(29)32)30-21-40(15-6-3)33-12-9-24(37)18-27(30)33/h7-12,16-21,34H,4-6,13-15H2,1-3H3
InChIKeyJLWREYBJKYUDAB-UHFFFAOYSA-N
MW591.03 g/mol
LogP10.92
Rot. Bonds9

About 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole

3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole (PubChem CID 142757854) has the molecular formula C34H34Cl3N3 and a molecular weight of 591.03 g/mol. Its IUPAC name is 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole.

Molecular Properties

Compound Name3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole
PubChem CID142757854
Molecular FormulaC34H34Cl3N3
Molecular Weight591.03 g/mol
Exact Mass589.18
IUPAC Name3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole
SMILESCCCn1cc(C(c2cn(CCC)c3ccc(Cl)cc23)c2cn(CCC)c3ccc(Cl)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C34H34Cl3N3/c1-4-13-38-19-28(25-16-22(35)7-10-31(25)38)34(29-20-39(14-5-2)32-11-8-23(36)17-26(29)32)30-21-40(15-6-3)33-12-9-24(37)18-27(30)33/h7-12,16-21,34H,4-6,13-15H2,1-3H3
InChIKeyJLWREYBJKYUDAB-UHFFFAOYSA-N
XLogP10.92
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.03
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole 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 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole?
The IUPAC name of 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole (CID 142757854) is 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole.
What is the SMILES notation for 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole?
The canonical SMILES for 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole is CCCn1cc(C(c2cn(CCC)c3ccc(Cl)cc23)c2cn(CCC)c3ccc(Cl)cc23)c2cc(Cl)ccc21.
What is the InChIKey of 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole?
The InChIKey is JLWREYBJKYUDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Cl3N3/c1-4-13-38-19-28(25-16-22(35)7-10-31(25)38)34(29-20-39(14-5-2)32-11-8-23(36)17-26(29)32)30-21-40(15-6-3)33-12-9-24(37)18-27(30)33/h7-12,16-21,34H,4-6,13-15H2,1-3H3.
What are the key properties of 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole?
3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole has a molecular weight of 591.03 g/mol, XLogP of 10.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(5-chloro-1-propylindol-3-yl)methyl]-5-chloro-1-propylindole is sourced from PubChem (CID 142757854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).