4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran

C26H17BrO — CID 170227182

IUPAC4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran
SMILESBrC1=c2ccccc2=C(c2cccc3c2oc2ccccc23)C2CC=CC=C12
InChIInChI=1S/C26H17BrO/c27-25-19-11-3-1-9-17(19)24(18-10-2-4-12-20(18)25)22-14-7-13-21-16-8-5-6-15-23(16)28-26(21)22/h1-9,11-15,18H,10H2
InChIKeyOMBHXINTPSSJOG-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.80
Rot. Bonds1

About 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran

4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran (PubChem CID 170227182) has the molecular formula C26H17BrO and a molecular weight of 425.33 g/mol. Its IUPAC name is 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran
PubChem CID170227182
Molecular FormulaC26H17BrO
Molecular Weight425.33 g/mol
Exact Mass424.05
IUPAC Name4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran
SMILESBrC1=c2ccccc2=C(c2cccc3c2oc2ccccc23)C2CC=CC=C12
InChIInChI=1S/C26H17BrO/c27-25-19-11-3-1-9-17(19)24(18-10-2-4-12-20(18)25)22-14-7-13-21-16-8-5-6-15-23(16)28-26(21)22/h1-9,11-15,18H,10H2
InChIKeyOMBHXINTPSSJOG-UHFFFAOYSA-N
XLogP5.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran 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

2-(2-bromodibenzofuran-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenylpyrimidine
CID 134569520
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
1,2,3,5,6,7,8,9,10,11,12-undecafluoro-4-[5-[10-(2,3,4,5,6-pentafluorophenyl)-1,9a-dihydroanthracen-9-yl]naphthalen-1-yl]benzo[a]anthracene
CID 123923293
7-[10-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),17-octaen-18-yl)-7-naphthalen-1-yl-1,9a-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163466850
10-bromo-1,12b-dihydrotriphenylene
CID 145063923
4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane
CID 145447484
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 170127951
N-[4-(2-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine
CID 154960964
6-(9,10-dinaphthalen-1-yl-5,10a-dihydroanthracen-2-yl)benzene-1,2,3,4,5-pentol
CID 163784132

Frequently Asked Questions

What is the IUPAC name of 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran?
The IUPAC name of 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran (CID 170227182) is 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran?
The canonical SMILES for 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran is BrC1=c2ccccc2=C(c2cccc3c2oc2ccccc23)C2CC=CC=C12.
What is the InChIKey of 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran?
The InChIKey is OMBHXINTPSSJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrO/c27-25-19-11-3-1-9-17(19)24(18-10-2-4-12-20(18)25)22-14-7-13-21-16-8-5-6-15-23(16)28-26(21)22/h1-9,11-15,18H,10H2.
What are the key properties of 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran?
4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran has a molecular weight of 425.33 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 170227182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).