6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium

C75H101N5O8P+ — CID 160888480

IUPAC6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium
SMILESCC(=O)N(O)CCCCCCC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C75H100N5O8P/c1-64(81)78(86)60-34-4-2-22-44-68(82)51-53-73(84)79(87)61-35-14-30-56-76-72(83)52-54-74(85)80(88)62-36-15-33-59-77(57-31-5-3-29-55-75(65-38-16-8-17-39-65,66-40-18-9-19-41-66)67-42-20-10-21-43-67)58-32-6-7-37-63-89(69-45-23-11-24-46-69,70-47-25-12-26-48-70)71-49-27-13-28-50-71/h8-13,16-21,23-28,38-43,45-50,86-88H,2-7,14-15,22,29-37,44,51-63H2,1H3/p+1
InChIKeySNYJMSGHVKMUBW-UHFFFAOYSA-O
MW1231.63 g/mol
LogP14.04
Rot. Bonds45

About 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium

6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium (PubChem CID 160888480) has the molecular formula C75H101N5O8P+ and a molecular weight of 1231.63 g/mol. Its IUPAC name is 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium.

Molecular Properties

Compound Name6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium
PubChem CID160888480
Molecular FormulaC75H101N5O8P+
Molecular Weight1231.63 g/mol
Exact Mass1230.74
IUPAC Name6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium
SMILESCC(=O)N(O)CCCCCCC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C75H100N5O8P/c1-64(81)78(86)60-34-4-2-22-44-68(82)51-53-73(84)79(87)61-35-14-30-56-76-72(83)52-54-74(85)80(88)62-36-15-33-59-77(57-31-5-3-29-55-75(65-38-16-8-17-39-65,66-40-18-9-19-41-66)67-42-20-10-21-43-67)58-32-6-7-37-63-89(69-45-23-11-24-46-69,70-47-25-12-26-48-70)71-49-27-13-28-50-71/h8-13,16-21,23-28,38-43,45-50,86-88H,2-7,14-15,22,29-37,44,51-63H2,1H3/p+1
InChIKeySNYJMSGHVKMUBW-UHFFFAOYSA-O
XLogP14.04
TPSA171.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds45
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.63
LogP ≤ 514.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium with MolForge

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Related Compounds

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 153461613
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(propylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 101086377
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 122214470
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
N-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentyl]-N'-hydroxy-N'-[5-[[4-(methylcarbamothioylamino)phenyl]carbamothioylamino]pentyl]butanediamide;zirconium;dihydrate
CID 157396956
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(2-methylhydrazinyl)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 166726509
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;gallane
CID 173092745
tert-butyl 4-[3-[5-[[10-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-3-oxopropoxy]butanoate
CID 158941725
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium
CID 142518224

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium?
The IUPAC name of 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium (CID 160888480) is 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium.
What is the SMILES notation for 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium?
The canonical SMILES for 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium is CC(=O)N(O)CCCCCCC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium?
The InChIKey is SNYJMSGHVKMUBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C75H100N5O8P/c1-64(81)78(86)60-34-4-2-22-44-68(82)51-53-73(84)79(87)61-35-14-30-56-76-72(83)52-54-74(85)80(88)62-36-15-33-59-77(57-31-5-3-29-55-75(65-38-16-8-17-39-65,66-40-18-9-19-41-66)67-42-20-10-21-43-67)58-32-6-7-37-63-89(69-45-23-11-24-46-69,70-47-25-12-26-48-70)71-49-27-13-28-50-71/h8-13,16-21,23-28,38-43,45-50,86-88H,2-7,14-15,22,29-37,44,51-63H2,1H3/p+1.
What are the key properties of 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium?
6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium has a molecular weight of 1231.63 g/mol, XLogP of 14.04, 45 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-(7,7,7-triphenylheptyl)amino]hexyl-triphenylphosphanium is sourced from PubChem (CID 160888480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).