4-bromo-6-fluoranthen-3-yldibenzofuran

C28H15BrO — CID 129100187

IUPAC4-bromo-6-fluoranthen-3-yldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cccc12
InChIInChI=1S/C28H15BrO/c29-25-13-5-12-24-23-11-4-10-22(27(23)30-28(24)25)18-14-15-21-17-7-2-1-6-16(17)19-8-3-9-20(18)26(19)21/h1-15H
InChIKeyFCCJHMMODBCEMO-UHFFFAOYSA-N
MW447.33 g/mol
LogP8.82
Rot. Bonds1

About 4-bromo-6-fluoranthen-3-yldibenzofuran

4-bromo-6-fluoranthen-3-yldibenzofuran (PubChem CID 129100187) has the molecular formula C28H15BrO and a molecular weight of 447.33 g/mol. Its IUPAC name is 4-bromo-6-fluoranthen-3-yldibenzofuran.

Molecular Properties

Compound Name4-bromo-6-fluoranthen-3-yldibenzofuran
PubChem CID129100187
Molecular FormulaC28H15BrO
Molecular Weight447.33 g/mol
Exact Mass446.03
IUPAC Name4-bromo-6-fluoranthen-3-yldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cccc12
InChIInChI=1S/C28H15BrO/c29-25-13-5-12-24-23-11-4-10-22(27(23)30-28(24)25)18-14-15-21-17-7-2-1-6-16(17)19-8-3-9-20(18)26(19)21/h1-15H
InChIKeyFCCJHMMODBCEMO-UHFFFAOYSA-N
XLogP8.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)fluoranthene
CID 58390376
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454066
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 118616472
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
8-bromo-3-naphthalen-1-ylfluoranthene
CID 139499164
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164
2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166846454
10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 139330508
4-phenyl-7,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoranthen-3-yldibenzofuran?
The IUPAC name of 4-bromo-6-fluoranthen-3-yldibenzofuran (CID 129100187) is 4-bromo-6-fluoranthen-3-yldibenzofuran.
What is the SMILES notation for 4-bromo-6-fluoranthen-3-yldibenzofuran?
The canonical SMILES for 4-bromo-6-fluoranthen-3-yldibenzofuran is Brc1cccc2c1oc1c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cccc12.
What is the InChIKey of 4-bromo-6-fluoranthen-3-yldibenzofuran?
The InChIKey is FCCJHMMODBCEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15BrO/c29-25-13-5-12-24-23-11-4-10-22(27(23)30-28(24)25)18-14-15-21-17-7-2-1-6-16(17)19-8-3-9-20(18)26(19)21/h1-15H.
What are the key properties of 4-bromo-6-fluoranthen-3-yldibenzofuran?
4-bromo-6-fluoranthen-3-yldibenzofuran has a molecular weight of 447.33 g/mol, XLogP of 8.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoranthen-3-yldibenzofuran is sourced from PubChem (CID 129100187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).