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

C43H33Cl3N8 — CID 44583476

IUPAC3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
SMILESClc1ccc(Cn2cc(Cn3cc(C(c4ccc(Cl)cc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1
InChIInChI=1S/C43H33Cl3N8/c44-32-15-9-29(10-16-32)21-53-25-35(47-49-53)23-51-27-39(37-5-1-3-7-41(37)51)43(31-13-19-34(46)20-14-31)40-28-52(42-8-4-2-6-38(40)42)24-36-26-54(50-48-36)22-30-11-17-33(45)18-12-30/h1-20,25-28,43H,21-24H2
InChIKeyZKOAVWSVSDGALR-UHFFFAOYSA-N
MW768.15 g/mol
LogP10.11
Rot. Bonds11

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

3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole (PubChem CID 44583476) has the molecular formula C43H33Cl3N8 and a molecular weight of 768.15 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
PubChem CID44583476
Molecular FormulaC43H33Cl3N8
Molecular Weight768.15 g/mol
Exact Mass766.19
IUPAC Name3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
SMILESClc1ccc(Cn2cc(Cn3cc(C(c4ccc(Cl)cc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1
InChIInChI=1S/C43H33Cl3N8/c44-32-15-9-29(10-16-32)21-53-25-35(47-49-53)23-51-27-39(37-5-1-3-7-41(37)51)43(31-13-19-34(46)20-14-31)40-28-52(42-8-4-2-6-38(40)42)24-36-26-54(50-48-36)22-30-11-17-33(45)18-12-30/h1-20,25-28,43H,21-24H2
InChIKeyZKOAVWSVSDGALR-UHFFFAOYSA-N
XLogP10.11
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.15
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole with MolForge

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Related Compounds

1-[(1-benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-5-bromoindol-3-yl]-(4-methoxyphenyl)methyl]-5-bromoindole
CID 44583479
1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
CID 132990308
4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 21379981
1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol
CID 11109797
3-[(1-benzyltriazol-4-yl)methyl]-6-(4-chlorophenyl)quinazolin-4-one
CID 72735684
1,4-dibenzyltriazole
CID 56663361
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
1-benzyl-4-[2-(3,4-difluorophenyl)propyl]triazole
CID 112719017
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 72735142
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
The IUPAC name of 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole (CID 44583476) is 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole.
What is the SMILES notation for 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
The canonical SMILES for 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole is Clc1ccc(Cn2cc(Cn3cc(C(c4ccc(Cl)cc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
The InChIKey is ZKOAVWSVSDGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33Cl3N8/c44-32-15-9-29(10-16-32)21-53-25-35(47-49-53)23-51-27-39(37-5-1-3-7-41(37)51)43(31-13-19-34(46)20-14-31)40-28-52(42-8-4-2-6-38(40)42)24-36-26-54(50-48-36)22-30-11-17-33(45)18-12-30/h1-20,25-28,43H,21-24H2.
What are the key properties of 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole has a molecular weight of 768.15 g/mol, XLogP of 10.11, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole is sourced from PubChem (CID 44583476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).