[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone

C24H14Br2O2 — CID 19777087

IUPAC[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cccc2c(C(=O)c3ccc(Br)cc3)cccc12
InChIInChI=1S/C24H14Br2O2/c25-17-11-7-15(8-12-17)23(27)21-5-1-3-19-20(21)4-2-6-22(19)24(28)16-9-13-18(26)14-10-16/h1-14H
InChIKeyVRIJFUUKRAKTES-UHFFFAOYSA-N
MW494.18 g/mol
LogP6.83
Rot. Bonds4

About [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone

[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone (PubChem CID 19777087) has the molecular formula C24H14Br2O2 and a molecular weight of 494.18 g/mol. Its IUPAC name is [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
PubChem CID19777087
Molecular FormulaC24H14Br2O2
Molecular Weight494.18 g/mol
Exact Mass491.94
IUPAC Name[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cccc2c(C(=O)c3ccc(Br)cc3)cccc12
InChIInChI=1S/C24H14Br2O2/c25-17-11-7-15(8-12-17)23(27)21-5-1-3-19-20(21)4-2-6-22(19)24(28)16-9-13-18(26)14-10-16/h1-14H
InChIKeyVRIJFUUKRAKTES-UHFFFAOYSA-N
XLogP6.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.18
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-amino-3-(hydroxymethyl)phenyl]-(4-bromophenyl)methanone
CID 125294611
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
CID 3948314
4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
CID 13193100
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
(4-bromophenyl)-(9H-fluoren-4-yl)methanone
CID 71390046
2-[2-amino-3-(4-bromobenzoyl)phenyl]ethanethioic S-acid
CID 146639901
(4-bromophenyl)-(2-isocyanatophenyl)methanone
CID 71481784
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
sodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid;hydride;hydrate
CID 175430044

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone?
The IUPAC name of [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone (CID 19777087) is [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)c1cccc2c(C(=O)c3ccc(Br)cc3)cccc12.
What is the InChIKey of [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone?
The InChIKey is VRIJFUUKRAKTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2O2/c25-17-11-7-15(8-12-17)23(27)21-5-1-3-19-20(21)4-2-6-22(19)24(28)16-9-13-18(26)14-10-16/h1-14H.
What are the key properties of [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone?
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone has a molecular weight of 494.18 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 19777087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).