2-dodecyl-4-phenylisoindole-1,3-dione

C26H33NO2 — CID 70429574

IUPAC2-dodecyl-4-phenylisoindole-1,3-dione
SMILESCCCCCCCCCCCCN1C(=O)c2cccc(-c3ccccc3)c2C1=O
InChIInChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-14-20-27-25(28)23-19-15-18-22(24(23)26(27)29)21-16-12-11-13-17-21/h11-13,15-19H,2-10,14,20H2,1H3
InChIKeyMIBVSLHFTZHQIP-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.87
Rot. Bonds12

About 2-dodecyl-4-phenylisoindole-1,3-dione

2-dodecyl-4-phenylisoindole-1,3-dione (PubChem CID 70429574) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-dodecyl-4-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name2-dodecyl-4-phenylisoindole-1,3-dione
PubChem CID70429574
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name2-dodecyl-4-phenylisoindole-1,3-dione
SMILESCCCCCCCCCCCCN1C(=O)c2cccc(-c3ccccc3)c2C1=O
InChIInChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-14-20-27-25(28)23-19-15-18-22(24(23)26(27)29)21-16-12-11-13-17-21/h11-13,15-19H,2-10,14,20H2,1H3
InChIKeyMIBVSLHFTZHQIP-UHFFFAOYSA-N
XLogP6.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecyl-4-phenylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,18-dioctyl-10,15,21,25-tetraphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 102107213
1-nonyl-7-phenylindole-2,3-dione
CID 508422
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
5-butyl-1,3-diphenylthieno[3,4-c]pyrrole-4,6-dione
CID 102432668
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
1-hexyl-2,3-diphenylbenzene
CID 54065322
3-(1,3-dioxoisoindol-2-yl)propyl-hexadecyl-dimethylazanium
CID 19834288
2-butylbenzo[de]isoquinoline-1,3-dione;4-phenylbenzoic acid
CID 118939053
2-decyl-6-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino]benzo[de]isoquinoline-1,3-dione
CID 102353229

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-4-phenylisoindole-1,3-dione?
The IUPAC name of 2-dodecyl-4-phenylisoindole-1,3-dione (CID 70429574) is 2-dodecyl-4-phenylisoindole-1,3-dione.
What is the SMILES notation for 2-dodecyl-4-phenylisoindole-1,3-dione?
The canonical SMILES for 2-dodecyl-4-phenylisoindole-1,3-dione is CCCCCCCCCCCCN1C(=O)c2cccc(-c3ccccc3)c2C1=O.
What is the InChIKey of 2-dodecyl-4-phenylisoindole-1,3-dione?
The InChIKey is MIBVSLHFTZHQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-14-20-27-25(28)23-19-15-18-22(24(23)26(27)29)21-16-12-11-13-17-21/h11-13,15-19H,2-10,14,20H2,1H3.
What are the key properties of 2-dodecyl-4-phenylisoindole-1,3-dione?
2-dodecyl-4-phenylisoindole-1,3-dione has a molecular weight of 391.56 g/mol, XLogP of 6.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-4-phenylisoindole-1,3-dione is sourced from PubChem (CID 70429574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).