4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran

C36H23BrO — CID 142380750

IUPAC4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
SMILESBrc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C36H23BrO/c37-31-22-29(21-30(23-31)32-15-9-16-34-33-14-7-8-17-35(33)38-36(32)34)28-19-26(24-10-3-1-4-11-24)18-27(20-28)25-12-5-2-6-13-25/h1-23H
InChIKeyNRXMRDJSFKTDNU-UHFFFAOYSA-N
MW551.48 g/mol
LogP11.02
Rot. Bonds4

About 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran

4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran (PubChem CID 142380750) has the molecular formula C36H23BrO and a molecular weight of 551.48 g/mol. Its IUPAC name is 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
PubChem CID142380750
Molecular FormulaC36H23BrO
Molecular Weight551.48 g/mol
Exact Mass550.09
IUPAC Name4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
SMILESBrc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C36H23BrO/c37-31-22-29(21-30(23-31)32-15-9-16-34-33-14-7-8-17-35(33)38-36(32)34)28-19-26(24-10-3-1-4-11-24)18-27(20-28)25-12-5-2-6-13-25/h1-23H
InChIKeyNRXMRDJSFKTDNU-UHFFFAOYSA-N
XLogP11.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.48
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
CID 86700950
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
CID 118616537
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 122666247
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran?
The IUPAC name of 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran (CID 142380750) is 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran is Brc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran?
The InChIKey is NRXMRDJSFKTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrO/c37-31-22-29(21-30(23-31)32-15-9-16-34-33-14-7-8-17-35(33)38-36(32)34)28-19-26(24-10-3-1-4-11-24)18-27(20-28)25-12-5-2-6-13-25/h1-23H.
What are the key properties of 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran?
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran has a molecular weight of 551.48 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 142380750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).