2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C71H88N4O10 — CID 59475379

IUPAC2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCCCCCCCCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(CCCCCCCCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C71H88N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-72-64(78)54-39-35-50(45-58(54)68(72)82)62(76)52-37-41-56-60(47-52)70(84)74(66(56)80)49-75-67(81)57-42-38-53(48-61(57)71(75)85)63(77)51-36-40-55-59(46-51)69(83)73(65(55)79)44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42,45-48H,3-34,43-44,49H2,1-2H3
InChIKeyDDBYROPWFGITQO-UHFFFAOYSA-N
MW1157.50 g/mol
LogP15.71
Rot. Bonds40

About 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 59475379) has the molecular formula C71H88N4O10 and a molecular weight of 1157.50 g/mol. Its IUPAC name is 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID59475379
Molecular FormulaC71H88N4O10
Molecular Weight1157.50 g/mol
Exact Mass1156.65
IUPAC Name2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCCCCCCCCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(CCCCCCCCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C71H88N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-72-64(78)54-39-35-50(45-58(54)68(72)82)62(76)52-37-41-56-60(47-52)70(84)74(66(56)80)49-75-67(81)57-42-38-53(48-61(57)71(75)85)63(77)51-36-40-55-59(46-51)69(83)73(65(55)79)44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42,45-48H,3-34,43-44,49H2,1-2H3
InChIKeyDDBYROPWFGITQO-UHFFFAOYSA-N
XLogP15.71
TPSA183.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds40
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.50
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-dodecyl-5-[2-[3-ethyl-15-[5-[2-(3-ethylpentadecan-3-yl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pentadecan-3-yl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 88940995
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
CID 755791
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
2,5-bis(2-octyl-1,3-dioxoisoindol-5-yl)benzene-1,4-dicarbonitrile
CID 101466482
(1,3-dioxoisoindol-2-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 3564306
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
(4-chlorophenyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 2667157

Frequently Asked Questions

What is the IUPAC name of 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 59475379) is 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(CCCCCCCCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O.
What is the InChIKey of 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is DDBYROPWFGITQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H88N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-72-64(78)54-39-35-50(45-58(54)68(72)82)62(76)52-37-41-56-60(47-52)70(84)74(66(56)80)49-75-67(81)57-42-38-53(48-61(57)71(75)85)63(77)51-36-40-55-59(46-51)69(83)73(65(55)79)44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42,45-48H,3-34,43-44,49H2,1-2H3.
What are the key properties of 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 1157.50 g/mol, XLogP of 15.71, 40 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 59475379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).