5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole

C43H32Br2Cl2N8 — CID 44583478

IUPAC5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
SMILESClc1ccc(Cn2cc(Cn3cc(C(c4ccccc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccc(Br)cc45)c4cc(Br)ccc43)nn2)cc1
InChIInChI=1S/C43H32Br2Cl2N8/c44-31-10-16-41-37(18-31)39(26-52(41)22-35-24-54(50-48-35)20-28-6-12-33(46)13-7-28)43(30-4-2-1-3-5-30)40-27-53(42-17-11-32(45)19-38(40)42)23-36-25-55(51-49-36)21-29-8-14-34(47)15-9-29/h1-19,24-27,43H,20-23H2
InChIKeyJHOFUWDBJPIFIV-UHFFFAOYSA-N
MW891.50 g/mol
LogP10.98
Rot. Bonds11

About 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole

5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole (PubChem CID 44583478) has the molecular formula C43H32Br2Cl2N8 and a molecular weight of 891.50 g/mol. Its IUPAC name is 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole.

Molecular Properties

Compound Name5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
PubChem CID44583478
Molecular FormulaC43H32Br2Cl2N8
Molecular Weight891.50 g/mol
Exact Mass888.05
IUPAC Name5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
SMILESClc1ccc(Cn2cc(Cn3cc(C(c4ccccc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccc(Br)cc45)c4cc(Br)ccc43)nn2)cc1
InChIInChI=1S/C43H32Br2Cl2N8/c44-31-10-16-41-37(18-31)39(26-52(41)22-35-24-54(50-48-35)20-28-6-12-33(46)13-7-28)43(30-4-2-1-3-5-30)40-27-53(42-17-11-32(45)19-38(40)42)23-36-25-55(51-49-36)21-29-8-14-34(47)15-9-29/h1-19,24-27,43H,20-23H2
InChIKeyJHOFUWDBJPIFIV-UHFFFAOYSA-N
XLogP10.98
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.50
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
The IUPAC name of 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole (CID 44583478) is 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole.
What is the SMILES notation for 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
The canonical SMILES for 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole is Clc1ccc(Cn2cc(Cn3cc(C(c4ccccc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccc(Br)cc45)c4cc(Br)ccc43)nn2)cc1.
What is the InChIKey of 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
The InChIKey is JHOFUWDBJPIFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32Br2Cl2N8/c44-31-10-16-41-37(18-31)39(26-52(41)22-35-24-54(50-48-35)20-28-6-12-33(46)13-7-28)43(30-4-2-1-3-5-30)40-27-53(42-17-11-32(45)19-38(40)42)23-36-25-55(51-49-36)21-29-8-14-34(47)15-9-29/h1-19,24-27,43H,20-23H2.
What are the key properties of 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole?
5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole has a molecular weight of 891.50 g/mol, XLogP of 10.98, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[5-bromo-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole is sourced from PubChem (CID 44583478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).