[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone

C24H13Br2ClO2S — CID 71573568

IUPAC[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)c(C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C24H13Br2ClO2S/c25-17-7-1-15(2-8-17)22(28)21-13-20(14-5-11-19(27)12-6-14)24(30-21)23(29)16-3-9-18(26)10-4-16/h1-13H
InChIKeyAGKPDRKSMDWTIE-UHFFFAOYSA-N
MW560.69 g/mol
LogP8.06
Rot. Bonds5

About [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone

[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone (PubChem CID 71573568) has the molecular formula C24H13Br2ClO2S and a molecular weight of 560.69 g/mol. Its IUPAC name is [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
PubChem CID71573568
Molecular FormulaC24H13Br2ClO2S
Molecular Weight560.69 g/mol
Exact Mass557.87
IUPAC Name[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)c(C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C24H13Br2ClO2S/c25-17-7-1-15(2-8-17)22(28)21-13-20(14-5-11-19(27)12-6-14)24(30-21)23(29)16-3-9-18(26)10-4-16/h1-13H
InChIKeyAGKPDRKSMDWTIE-UHFFFAOYSA-N
XLogP8.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
CID 102363758
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
CID 10961144
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate
CID 45034959
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
CID 56951813
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
CID 70796278
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone?
The IUPAC name of [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone (CID 71573568) is [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)c(C(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone?
The InChIKey is AGKPDRKSMDWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Br2ClO2S/c25-17-7-1-15(2-8-17)22(28)21-13-20(14-5-11-19(27)12-6-14)24(30-21)23(29)16-3-9-18(26)10-4-16/h1-13H.
What are the key properties of [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone?
[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone has a molecular weight of 560.69 g/mol, XLogP of 8.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 71573568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).