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

C46H42N8O3 — CID 44583475

IUPAC3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole
SMILESCOc1ccc(Cn2cc(Cn3cc(C(c4ccc(OC)cc4)c4cn(Cc5cn(Cc6ccc(OC)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1
InChIInChI=1S/C46H42N8O3/c1-55-37-18-12-32(13-19-37)24-53-28-35(47-49-53)26-51-30-42(40-8-4-6-10-44(40)51)46(34-16-22-39(57-3)23-17-34)43-31-52(45-11-7-5-9-41(43)45)27-36-29-54(50-48-36)25-33-14-20-38(56-2)21-15-33/h4-23,28-31,46H,24-27H2,1-3H3
InChIKeyJQJYMIBUQMUYDH-UHFFFAOYSA-N
MW754.89 g/mol
LogP8.18
Rot. Bonds14

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

3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole (PubChem CID 44583475) has the molecular formula C46H42N8O3 and a molecular weight of 754.89 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole
PubChem CID44583475
Molecular FormulaC46H42N8O3
Molecular Weight754.89 g/mol
Exact Mass754.34
IUPAC Name3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole
SMILESCOc1ccc(Cn2cc(Cn3cc(C(c4ccc(OC)cc4)c4cn(Cc5cn(Cc6ccc(OC)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1
InChIInChI=1S/C46H42N8O3/c1-55-37-18-12-32(13-19-37)24-53-28-35(47-49-53)26-51-30-42(40-8-4-6-10-44(40)51)46(34-16-22-39(57-3)23-17-34)43-31-52(45-11-7-5-9-41(43)45)27-36-29-54(50-48-36)25-33-14-20-38(56-2)21-15-33/h4-23,28-31,46H,24-27H2,1-3H3
InChIKeyJQJYMIBUQMUYDH-UHFFFAOYSA-N
XLogP8.18
TPSA98.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole?
The IUPAC name of 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole (CID 44583475) is 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole.
What is the SMILES notation for 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole?
The canonical SMILES for 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole is COc1ccc(Cn2cc(Cn3cc(C(c4ccc(OC)cc4)c4cn(Cc5cn(Cc6ccc(OC)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole?
The InChIKey is JQJYMIBUQMUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N8O3/c1-55-37-18-12-32(13-19-37)24-53-28-35(47-49-53)26-51-30-42(40-8-4-6-10-44(40)51)46(34-16-22-39(57-3)23-17-34)43-31-52(45-11-7-5-9-41(43)45)27-36-29-54(50-48-36)25-33-14-20-38(56-2)21-15-33/h4-23,28-31,46H,24-27H2,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole?
3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole has a molecular weight of 754.89 g/mol, XLogP of 8.18, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole is sourced from PubChem (CID 44583475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).