dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine

C25H16Br4Cl2O2 — CID 159889298

IUPACdibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
SMILESBrBr.Brc1ccc2oc3ccc(Br)cc3c2c1.ClCCl.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H6Br2O.C12H8O.CH2Cl2.Br2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2-1-3;1-2/h1-6H;1-8H;1H2;
InChIKeyNUNPYUMMLDRHNO-UHFFFAOYSA-N
MW738.92 g/mol
LogP11.81
Rot. Bonds

About dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine

dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine (PubChem CID 159889298) has the molecular formula C25H16Br4Cl2O2 and a molecular weight of 738.92 g/mol. Its IUPAC name is dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine.

Molecular Properties

Compound Namedibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
PubChem CID159889298
Molecular FormulaC25H16Br4Cl2O2
Molecular Weight738.92 g/mol
Exact Mass733.73
IUPAC Namedibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
SMILESBrBr.Brc1ccc2oc3ccc(Br)cc3c2c1.ClCCl.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H6Br2O.C12H8O.CH2Cl2.Br2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2-1-3;1-2/h1-6H;1-8H;1H2;
InChIKeyNUNPYUMMLDRHNO-UHFFFAOYSA-N
XLogP11.81
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.92
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
2-bromo-8-deuteriodibenzofuran
CID 164823115
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
19-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;2-bromo-8-(2-phenylphenyl)dibenzofuran;dichloromethane;trichloroiron
CID 162102764
dibenzofuran-2-amine
CID 19405
2-bromodibenzofuran;4-dibenzofuran-2-ylaniline;2-[4-(dibenzofuran-2-ylmethyl)phenyl]dibenzofuran
CID 161325383
8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
CID 143904917
2-[2-(3-bromophenoxy)ethoxy]dibenzofuran
CID 7916398
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
7-bromo-[1]benzofuro[3,2-b]chromen-11-one
CID 153449994

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine?
The IUPAC name of dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine (CID 159889298) is dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine.
What is the SMILES notation for dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine?
The canonical SMILES for dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine is BrBr.Brc1ccc2oc3ccc(Br)cc3c2c1.ClCCl.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine?
The InChIKey is NUNPYUMMLDRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O.C12H8O.CH2Cl2.Br2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2-1-3;1-2/h1-6H;1-8H;1H2;.
What are the key properties of dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine?
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine has a molecular weight of 738.92 g/mol, XLogP of 11.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine is sourced from PubChem (CID 159889298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).