2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one

C48H49N7O10 — CID 155554919

IUPAC2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCOCCOCCn3cc(CNCc4cn(CCOCCOCCOc5ccc(-c6cc(=O)c7ccccc7o6)cc5)nn4)nn3)cc2)oc2ccccc12
InChIInChI=1S/C48H49N7O10/c56-43-29-47(64-45-7-3-1-5-41(43)45)35-9-13-39(14-10-35)62-27-25-60-23-21-58-19-17-54-33-37(50-52-54)31-49-32-38-34-55(53-51-38)18-20-59-22-24-61-26-28-63-40-15-11-36(12-16-40)48-30-44(57)42-6-2-4-8-46(42)65-48/h1-16,29-30,33-34,49H,17-28,31-32H2
InChIKeyOADFUAYYTRFBRG-UHFFFAOYSA-N
MW883.96 g/mol
LogP5.93
Rot. Bonds26

About 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one

2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one (PubChem CID 155554919) has the molecular formula C48H49N7O10 and a molecular weight of 883.96 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
PubChem CID155554919
Molecular FormulaC48H49N7O10
Molecular Weight883.96 g/mol
Exact Mass883.35
IUPAC Name2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCOCCOCCn3cc(CNCc4cn(CCOCCOCCOc5ccc(-c6cc(=O)c7ccccc7o6)cc5)nn4)nn3)cc2)oc2ccccc12
InChIInChI=1S/C48H49N7O10/c56-43-29-47(64-45-7-3-1-5-41(43)45)35-9-13-39(14-10-35)62-27-25-60-23-21-58-19-17-54-33-37(50-52-54)31-49-32-38-34-55(53-51-38)18-20-59-22-24-61-26-28-63-40-15-11-36(12-16-40)48-30-44(57)42-6-2-4-8-46(42)65-48/h1-16,29-30,33-34,49H,17-28,31-32H2
InChIKeyOADFUAYYTRFBRG-UHFFFAOYSA-N
XLogP5.93
TPSA189.25 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.96
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
The IUPAC name of 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one (CID 155554919) is 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
The canonical SMILES for 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one is O=c1cc(-c2ccc(OCCOCCOCCn3cc(CNCc4cn(CCOCCOCCOc5ccc(-c6cc(=O)c7ccccc7o6)cc5)nn4)nn3)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
The InChIKey is OADFUAYYTRFBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N7O10/c56-43-29-47(64-45-7-3-1-5-41(43)45)35-9-13-39(14-10-35)62-27-25-60-23-21-58-19-17-54-33-37(50-52-54)31-49-32-38-34-55(53-51-38)18-20-59-22-24-61-26-28-63-40-15-11-36(12-16-40)48-30-44(57)42-6-2-4-8-46(42)65-48/h1-16,29-30,33-34,49H,17-28,31-32H2.
What are the key properties of 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one has a molecular weight of 883.96 g/mol, XLogP of 5.93, 26 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one is sourced from PubChem (CID 155554919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).