4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran

C25H17BrO — CID 58657592

IUPAC4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran
SMILESBrCc1cccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C25H17BrO/c26-16-17-6-3-7-18(14-17)19-8-4-9-20(15-19)21-11-5-12-23-22-10-1-2-13-24(22)27-25(21)23/h1-15H,16H2
InChIKeyZHOWEBOWBWBDPV-UHFFFAOYSA-N
MW413.31 g/mol
LogP7.81
Rot. Bonds3

About 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran

4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran (PubChem CID 58657592) has the molecular formula C25H17BrO and a molecular weight of 413.31 g/mol. Its IUPAC name is 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran
PubChem CID58657592
Molecular FormulaC25H17BrO
Molecular Weight413.31 g/mol
Exact Mass412.05
IUPAC Name4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran
SMILESBrCc1cccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C25H17BrO/c26-16-17-6-3-7-18(14-17)19-8-4-9-20(15-19)21-11-5-12-23-22-10-1-2-13-24(22)27-25(21)23/h1-15H,16H2
InChIKeyZHOWEBOWBWBDPV-UHFFFAOYSA-N
XLogP7.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-[3-(bromomethyl)phenyl]chromen-2-one
CID 174877347
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
CID 118935396
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran (CID 58657592) is 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran is BrCc1cccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c1.
What is the InChIKey of 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran?
The InChIKey is ZHOWEBOWBWBDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO/c26-16-17-6-3-7-18(14-17)19-8-4-9-20(15-19)21-11-5-12-23-22-10-1-2-13-24(22)27-25(21)23/h1-15H,16H2.
What are the key properties of 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran?
4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran has a molecular weight of 413.31 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 58657592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).