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

C24H14Br2O2S — CID 102363758

IUPAC[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc(-c2ccccc2)c(C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C24H14Br2O2S/c25-18-10-6-16(7-11-18)22(27)21-14-20(15-4-2-1-3-5-15)24(29-21)23(28)17-8-12-19(26)13-9-17/h1-14H
InChIKeyFJPGHRPRKREWOO-UHFFFAOYSA-N
MW526.25 g/mol
LogP7.40
Rot. Bonds5

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

[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone (PubChem CID 102363758) has the molecular formula C24H14Br2O2S and a molecular weight of 526.25 g/mol. Its IUPAC name is [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
PubChem CID102363758
Molecular FormulaC24H14Br2O2S
Molecular Weight526.25 g/mol
Exact Mass523.91
IUPAC Name[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc(-c2ccccc2)c(C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C24H14Br2O2S/c25-18-10-6-16(7-11-18)22(27)21-14-20(15-4-2-1-3-5-15)24(29-21)23(28)17-8-12-19(26)13-9-17/h1-14H
InChIKeyFJPGHRPRKREWOO-UHFFFAOYSA-N
XLogP7.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.25
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
CID 71573568
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone
CID 3732236
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone
CID 91881860
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone
CID 102480096
3-(4-methylphenyl)thiophene-2,5-dicarboxylic acid
CID 163904619
[3-benzoyl-4-(4-bromophenyl)-6-phenylpyran-2-ylidene]azanium
CID 102068849
[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone
CID 27162338
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
2-benzoyl-5-bromothiophene-3-carboxylic acid
CID 91881866

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone?
The IUPAC name of [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone (CID 102363758) is [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)c1cc(-c2ccccc2)c(C(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone?
The InChIKey is FJPGHRPRKREWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2O2S/c25-18-10-6-16(7-11-18)22(27)21-14-20(15-4-2-1-3-5-15)24(29-21)23(28)17-8-12-19(26)13-9-17/h1-14H.
What are the key properties of [5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone?
[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone has a molecular weight of 526.25 g/mol, XLogP of 7.40, 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-phenylthiophen-2-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 102363758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).