4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran

C36H23BrO2 — CID 158212345

IUPAC4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3ccccc3)cccc12.c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H11BrO.C18H12O/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12;1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-11H;1-12H
InChIKeyGCFQEXVRYZZDNC-UHFFFAOYSA-N
MW567.48 g/mol
LogP11.27
Rot. Bonds2

About 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran

4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran (PubChem CID 158212345) has the molecular formula C36H23BrO2 and a molecular weight of 567.48 g/mol. Its IUPAC name is 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran.

Molecular Properties

Compound Name4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
PubChem CID158212345
Molecular FormulaC36H23BrO2
Molecular Weight567.48 g/mol
Exact Mass566.09
IUPAC Name4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3ccccc3)cccc12.c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H11BrO.C18H12O/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12;1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-11H;1-12H
InChIKeyGCFQEXVRYZZDNC-UHFFFAOYSA-N
XLogP11.27
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.48
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-bromodibenzofuran;4-phenylaniline
CID 122673561
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
1,6-diphenyldibenzofuran
CID 145331756
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran?
The IUPAC name of 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran (CID 158212345) is 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran.
What is the SMILES notation for 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran?
The canonical SMILES for 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran is Brc1cccc2c1oc1c(-c3ccccc3)cccc12.c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran?
The InChIKey is GCFQEXVRYZZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO.C18H12O/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12;1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-11H;1-12H.
What are the key properties of 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran?
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran has a molecular weight of 567.48 g/mol, XLogP of 11.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran is sourced from PubChem (CID 158212345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).