(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone

C15H8Br2OS — CID 80532446

IUPAC(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cccc2ccccc12
InChIInChI=1S/C15H8Br2OS/c16-12-8-13(19-15(12)17)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyASHUSTYCMXGTPD-UHFFFAOYSA-N
MW396.10 g/mol
LogP5.66
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone

(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone (PubChem CID 80532446) has the molecular formula C15H8Br2OS and a molecular weight of 396.10 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
PubChem CID80532446
Molecular FormulaC15H8Br2OS
Molecular Weight396.10 g/mol
Exact Mass393.87
IUPAC Name(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cccc2ccccc12
InChIInChI=1S/C15H8Br2OS/c16-12-8-13(19-15(12)17)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyASHUSTYCMXGTPD-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.10
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
CID 80537318
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
CID 125473498
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
CID 58922083
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone (CID 80532446) is (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone is O=C(c1cc(Br)c(Br)s1)c1cccc2ccccc12.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone?
The InChIKey is ASHUSTYCMXGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2OS/c16-12-8-13(19-15(12)17)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H.
What are the key properties of (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone?
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone has a molecular weight of 396.10 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 80532446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).