4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane

C31H21BrO2 — CID 142380453

IUPAC4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
SMILESBrc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.C
InChIInChI=1S/C30H17BrO2.CH4/c31-20-16-18(21-9-5-11-25-23-7-1-3-13-27(23)32-29(21)25)15-19(17-20)22-10-6-12-26-24-8-2-4-14-28(24)33-30(22)26;/h1-17H;1H4
InChIKeyJAIUOXMYVDVOLC-UHFFFAOYSA-N
MW505.41 g/mol
LogP10.22
Rot. Bonds2

About 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane

4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane (PubChem CID 142380453) has the molecular formula C31H21BrO2 and a molecular weight of 505.41 g/mol. Its IUPAC name is 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane.

Molecular Properties

Compound Name4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
PubChem CID142380453
Molecular FormulaC31H21BrO2
Molecular Weight505.41 g/mol
Exact Mass504.07
IUPAC Name4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
SMILESBrc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.C
InChIInChI=1S/C30H17BrO2.CH4/c31-20-16-18(21-9-5-11-25-23-7-1-3-13-27(23)32-29(21)25)15-19(17-20)22-10-6-12-26-24-8-2-4-14-28(24)33-30(22)26;/h1-17H;1H4
InChIKeyJAIUOXMYVDVOLC-UHFFFAOYSA-N
XLogP10.22
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
4-(4-bromophenyl)dibenzofuran
CID 59022098
(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
CID 86700950
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
CID 142604922
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 122666247

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane?
The IUPAC name of 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane (CID 142380453) is 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane.
What is the SMILES notation for 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane?
The canonical SMILES for 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane is Brc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.C.
What is the InChIKey of 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane?
The InChIKey is JAIUOXMYVDVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17BrO2.CH4/c31-20-16-18(21-9-5-11-25-23-7-1-3-13-27(23)32-29(21)25)15-19(17-20)22-10-6-12-26-24-8-2-4-14-28(24)33-30(22)26;/h1-17H;1H4.
What are the key properties of 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane?
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane has a molecular weight of 505.41 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane is sourced from PubChem (CID 142380453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).