9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one

C46H67N5O14 — CID 102484506

IUPAC9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one
SMILESCCN(CC)c1ccc2nc3c4cc(OCCOCCOCCOCCOCCOCCn5cc(COCCOCCOCCOCCOCCCO)nn5)ccc4c(=O)cc-3oc2c1
InChIInChI=1S/C46H67N5O14/c1-3-50(4-2)38-6-9-42-44(32-38)65-45-34-43(53)40-8-7-39(33-41(40)46(45)47-42)64-31-30-62-27-26-60-23-22-58-21-19-57-17-15-55-13-10-51-35-37(48-49-51)36-63-29-28-61-25-24-59-20-18-56-16-14-54-12-5-11-52/h6-9,32-35,52H,3-5,10-31,36H2,1-2H3
InChIKeyWAGSONGLXWJIRI-UHFFFAOYSA-N
MW914.06 g/mol
LogP4.01
Rot. Bonds39

About 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one

9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one (PubChem CID 102484506) has the molecular formula C46H67N5O14 and a molecular weight of 914.06 g/mol. Its IUPAC name is 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one.

Molecular Properties

Compound Name9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one
PubChem CID102484506
Molecular FormulaC46H67N5O14
Molecular Weight914.06 g/mol
Exact Mass913.47
IUPAC Name9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one
SMILESCCN(CC)c1ccc2nc3c4cc(OCCOCCOCCOCCOCCOCCn5cc(COCCOCCOCCOCCOCCCO)nn5)ccc4c(=O)cc-3oc2c1
InChIInChI=1S/C46H67N5O14/c1-3-50(4-2)38-6-9-42-44(32-38)65-45-34-43(53)40-8-7-39(33-41(40)46(45)47-42)64-31-30-62-27-26-60-23-22-58-21-19-57-17-15-55-13-10-51-35-37(48-49-51)36-63-29-28-61-25-24-59-20-18-56-16-14-54-12-5-11-52/h6-9,32-35,52H,3-5,10-31,36H2,1-2H3
InChIKeyWAGSONGLXWJIRI-UHFFFAOYSA-N
XLogP4.01
TPSA198.81 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds39
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.06
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one with MolForge

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Related Compounds

6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid
CID 10527463
2-[[3-[4-[[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxymethyl]triazol-1-yl]propoxy-tetradecoxyphosphoryl]amino]ethyl-hydroxy-dimethylazanium
CID 102341222
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]benzene-1,2-dicarboxamide
CID 101460651
3-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]prop-2-ynenitrile;ethane
CID 144768606
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]phthalic acid
CID 102469977
2-[2-(3-aminophenyl)ethynyl]-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 153356345
12-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxy-N-[(E,2S,3R)-1,3-dihydroxy-7-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hept-4-en-2-yl]dodecanamide
CID 72702732
methyl 3-[(3-methoxy-3-oxopropyl)-[5-oxo-2-(trifluoromethylsulfonyloxy)benzo[a]phenoxazin-9-yl]amino]propanoate
CID 162537361
N-[(E,2S,3R)-7-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxy-1,3-dihydroxyhept-4-en-2-yl]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide
CID 72702731
4-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-3-yl]benzonitrile
CID 153356351
N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
CID 20688806
3-[2-[[1-[4-[[2-[[4-(dimethylamino)phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]butyl]triazol-4-yl]methoxy]ethoxy]propanoic acid
CID 177056513

Frequently Asked Questions

What is the IUPAC name of 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one?
The IUPAC name of 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one (CID 102484506) is 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one.
What is the SMILES notation for 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one?
The canonical SMILES for 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one is CCN(CC)c1ccc2nc3c4cc(OCCOCCOCCOCCOCCOCCn5cc(COCCOCCOCCOCCOCCCO)nn5)ccc4c(=O)cc-3oc2c1.
What is the InChIKey of 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one?
The InChIKey is WAGSONGLXWJIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H67N5O14/c1-3-50(4-2)38-6-9-42-44(32-38)65-45-34-43(53)40-8-7-39(33-41(40)46(45)47-42)64-31-30-62-27-26-60-23-22-58-21-19-57-17-15-55-13-10-51-35-37(48-49-51)36-63-29-28-61-25-24-59-20-18-56-16-14-54-12-5-11-52/h6-9,32-35,52H,3-5,10-31,36H2,1-2H3.
What are the key properties of 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one?
9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one has a molecular weight of 914.06 g/mol, XLogP of 4.01, 39 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(diethylamino)-2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzo[a]phenoxazin-5-one is sourced from PubChem (CID 102484506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).