[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone

C34H20Br2O2 — CID 3948314

IUPAC[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc2ccccc2c1-c1c(C(=O)c2ccc(Br)cc2)ccc2ccccc12
InChIInChI=1S/C34H20Br2O2/c35-25-15-9-23(10-16-25)33(37)29-19-13-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)14-20-30(32)34(38)24-11-17-26(36)18-12-24/h1-20H
InChIKeyUKHMOMVDFGGSQK-UHFFFAOYSA-N
MW620.34 g/mol
LogP9.65
Rot. Bonds5

About [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone

[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone (PubChem CID 3948314) has the molecular formula C34H20Br2O2 and a molecular weight of 620.34 g/mol. Its IUPAC name is [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
PubChem CID3948314
Molecular FormulaC34H20Br2O2
Molecular Weight620.34 g/mol
Exact Mass617.98
IUPAC Name[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc2ccccc2c1-c1c(C(=O)c2ccc(Br)cc2)ccc2ccccc12
InChIInChI=1S/C34H20Br2O2/c35-25-15-9-23(10-16-25)33(37)29-19-13-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)14-20-30(32)34(38)24-11-17-26(36)18-12-24/h1-20H
InChIKeyUKHMOMVDFGGSQK-UHFFFAOYSA-N
XLogP9.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.34
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone?
The IUPAC name of [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone (CID 3948314) is [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)c1ccc2ccccc2c1-c1c(C(=O)c2ccc(Br)cc2)ccc2ccccc12.
What is the InChIKey of [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone?
The InChIKey is UKHMOMVDFGGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Br2O2/c35-25-15-9-23(10-16-25)33(37)29-19-13-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)14-20-30(32)34(38)24-11-17-26(36)18-12-24/h1-20H.
What are the key properties of [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone?
[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone has a molecular weight of 620.34 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 3948314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).