[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone

C23H13Br3O2 — CID 15437557

IUPAC[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)c1oc(-c2cccc(Br)c2)cc1-c1cccc(Br)c1
InChIInChI=1S/C23H13Br3O2/c24-17-7-1-4-14(10-17)20-13-21(15-5-2-8-18(25)11-15)28-23(20)22(27)16-6-3-9-19(26)12-16/h1-13H
InChIKeyYZXVRBARVOJTBF-UHFFFAOYSA-N
MW561.07 g/mol
LogP8.13
Rot. Bonds4

About [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone

[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone (PubChem CID 15437557) has the molecular formula C23H13Br3O2 and a molecular weight of 561.07 g/mol. Its IUPAC name is [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone
PubChem CID15437557
Molecular FormulaC23H13Br3O2
Molecular Weight561.07 g/mol
Exact Mass557.85
IUPAC Name[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)c1oc(-c2cccc(Br)c2)cc1-c1cccc(Br)c1
InChIInChI=1S/C23H13Br3O2/c24-17-7-1-4-14(10-17)20-13-21(15-5-2-8-18(25)11-15)28-23(20)22(27)16-6-3-9-19(26)12-16/h1-13H
InChIKeyYZXVRBARVOJTBF-UHFFFAOYSA-N
XLogP8.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.07
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
bis[2-(3-bromophenyl)phenyl]methanone
CID 54092576
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
CID 90645643
(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone
CID 134110047
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone
CID 105423846
(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726716
1-(3-bromophenyl)-2,2-dichloroethanone
CID 15937137
2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one
CID 95403688

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone?
The IUPAC name of [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone (CID 15437557) is [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone.
What is the SMILES notation for [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone?
The canonical SMILES for [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone is O=C(c1cccc(Br)c1)c1oc(-c2cccc(Br)c2)cc1-c1cccc(Br)c1.
What is the InChIKey of [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone?
The InChIKey is YZXVRBARVOJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Br3O2/c24-17-7-1-4-14(10-17)20-13-21(15-5-2-8-18(25)11-15)28-23(20)22(27)16-6-3-9-19(26)12-16/h1-13H.
What are the key properties of [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone?
[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone has a molecular weight of 561.07 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone is sourced from PubChem (CID 15437557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).