2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione

C24H18Br2N2O2 — CID 118972484

IUPAC2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione
SMILESCCCCN1C(=O)c2cccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)c2C1=O
InChIInChI=1S/C24H18Br2N2O2/c1-2-3-11-27-23(29)16-5-4-6-21(22(16)24(27)30)28-19-9-7-14(25)12-17(19)18-13-15(26)8-10-20(18)28/h4-10,12-13H,2-3,11H2,1H3
InChIKeyZNLGUUKRBGLQCB-UHFFFAOYSA-N
MW526.23 g/mol
LogP6.70
Rot. Bonds4

About 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione

2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione (PubChem CID 118972484) has the molecular formula C24H18Br2N2O2 and a molecular weight of 526.23 g/mol. Its IUPAC name is 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione
PubChem CID118972484
Molecular FormulaC24H18Br2N2O2
Molecular Weight526.23 g/mol
Exact Mass523.97
IUPAC Name2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione
SMILESCCCCN1C(=O)c2cccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)c2C1=O
InChIInChI=1S/C24H18Br2N2O2/c1-2-3-11-27-23(29)16-5-4-6-21(22(16)24(27)30)28-19-9-7-14(25)12-17(19)18-13-15(26)8-10-20(18)28/h4-10,12-13H,2-3,11H2,1H3
InChIKeyZNLGUUKRBGLQCB-UHFFFAOYSA-N
XLogP6.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.23
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibromo-2-butylisoindole-1,3-dione
CID 167440985
2,7-dibromo-10-butylacridin-9-one
CID 86036844
2-dodecyl-4-phenylisoindole-1,3-dione
CID 70429574
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
7-bromo-1-pentylindole-2,3-dione
CID 61356330
(6-bromo-2-butyl-1,3-dioxobenzo[de]isoquinolin-5-yl)-oxidoazanium iodide
CID 163785929
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
2,3-dibromo-6,13-dipentyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
CID 44549418
2-(6-bromo-9-butylcarbazol-1-yl)aniline
CID 174689611
2,9-dibromo-6,13-dioctyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 71623604
1-butyl-3-methylidenequinoline-2,4-dione
CID 59034241
7,18-dibutyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139206036

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione?
The IUPAC name of 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione (CID 118972484) is 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione?
The canonical SMILES for 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione is CCCCN1C(=O)c2cccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)c2C1=O.
What is the InChIKey of 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione?
The InChIKey is ZNLGUUKRBGLQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O2/c1-2-3-11-27-23(29)16-5-4-6-21(22(16)24(27)30)28-19-9-7-14(25)12-17(19)18-13-15(26)8-10-20(18)28/h4-10,12-13H,2-3,11H2,1H3.
What are the key properties of 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione?
2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 526.23 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 118972484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).