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

C80H106N4O10 — CID 88940995

IUPAC2-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
SMILESCCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)(CC)CCCCCCCCCCCCN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(C(CC)(CC)CCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C80H106N4O10/c1-7-13-15-17-19-21-25-29-33-37-49-79(9-3,10-4)83-75(91)63-47-43-59(55-67(63)77(83)93)70(86)58-42-46-62-66(54-58)74(90)82(72(62)88)52-40-36-32-28-24-23-26-30-34-38-50-80(11-5,12-6)84-76(92)64-48-44-60(56-68(64)78(84)94)69(85)57-41-45-61-65(53-57)73(89)81(71(61)87)51-39-35-31-27-22-20-18-16-14-8-2/h41-48,53-56H,7-40,49-52H2,1-6H3
InChIKeySRBPEUIVGHLHQS-UHFFFAOYSA-N
MW1283.75 g/mol
LogP18.87
Rot. Bonds45

About 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

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 (PubChem CID 88940995) has the molecular formula C80H106N4O10 and a molecular weight of 1283.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID88940995
Molecular FormulaC80H106N4O10
Molecular Weight1283.75 g/mol
Exact Mass1282.79
IUPAC Name2-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
SMILESCCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)(CC)CCCCCCCCCCCCN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(C(CC)(CC)CCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C80H106N4O10/c1-7-13-15-17-19-21-25-29-33-37-49-79(9-3,10-4)83-75(91)63-47-43-59(55-67(63)77(83)93)70(86)58-42-46-62-66(54-58)74(90)82(72(62)88)52-40-36-32-28-24-23-26-30-34-38-50-80(11-5,12-6)84-76(92)64-48-44-60(56-68(64)78(84)94)69(85)57-41-45-61-65(53-57)73(89)81(71(61)87)51-39-35-31-27-22-20-18-16-14-8-2/h41-48,53-56H,7-40,49-52H2,1-6H3
InChIKeySRBPEUIVGHLHQS-UHFFFAOYSA-N
XLogP18.87
TPSA183.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds45
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.75
LogP ≤ 518.87
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-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 with MolForge

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Related Compounds

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
4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
CID 755791
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
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
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
5-[2-(8-amino-3-ethyl-5-methyloctan-3-yl)-1,3-dioxoisoindole-5-carbonyl]-2-(6-amino-6-ethyl-2-methyloctyl)isoindole-1,3-dione
CID 123917849
2-[3-(dimethylamino)propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 9079192

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)(CC)CCCCCCCCCCCCN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(C(CC)(CC)CCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O.
What is the InChIKey of 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?
The InChIKey is SRBPEUIVGHLHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H106N4O10/c1-7-13-15-17-19-21-25-29-33-37-49-79(9-3,10-4)83-75(91)63-47-43-59(55-67(63)77(83)93)70(86)58-42-46-62-66(54-58)74(90)82(72(62)88)52-40-36-32-28-24-23-26-30-34-38-50-80(11-5,12-6)84-76(92)64-48-44-60(56-68(64)78(84)94)69(85)57-41-45-61-65(53-57)73(89)81(71(61)87)51-39-35-31-27-22-20-18-16-14-8-2/h41-48,53-56H,7-40,49-52H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1283.75 g/mol, XLogP of 18.87, 45 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88940995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).