[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone

C36H22Br2O2 — CID 166012594

IUPAC[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1ccc(Br)c2c(-c3ccccc3C(=O)c3ccccc3)ccc(Br)c12
InChIInChI=1S/C36H22Br2O2/c37-31-22-20-28(26-16-8-10-18-30(26)36(40)24-13-5-2-6-14-24)34-32(38)21-19-27(33(31)34)25-15-7-9-17-29(25)35(39)23-11-3-1-4-12-23/h1-22H
InChIKeyCJVGJSBINIDIPT-UHFFFAOYSA-N
MW646.38 g/mol
LogP10.16
Rot. Bonds6

About [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone

[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone (PubChem CID 166012594) has the molecular formula C36H22Br2O2 and a molecular weight of 646.38 g/mol. Its IUPAC name is [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
PubChem CID166012594
Molecular FormulaC36H22Br2O2
Molecular Weight646.38 g/mol
Exact Mass644.00
IUPAC Name[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1ccc(Br)c2c(-c3ccccc3C(=O)c3ccccc3)ccc(Br)c12
InChIInChI=1S/C36H22Br2O2/c37-31-22-20-28(26-16-8-10-18-30(26)36(40)24-13-5-2-6-14-24)34-32(38)21-19-27(33(31)34)25-15-7-9-17-29(25)35(39)23-11-3-1-4-12-23/h1-22H
InChIKeyCJVGJSBINIDIPT-UHFFFAOYSA-N
XLogP10.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.38
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939
(2-bromophenyl)-phenylmethanone;phenylboronic acid;phenyl-(2-phenylphenyl)methanone
CID 158910738
1-(2-benzoylphenyl)xanthen-9-one
CID 67637668
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
[2-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]phenyl]-phenylmethanone
CID 141056080
[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
CID 175168856
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
(2-aminophenyl)-phenylmethanone
CID 158207972
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone?
The IUPAC name of [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone (CID 166012594) is [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1-c1ccc(Br)c2c(-c3ccccc3C(=O)c3ccccc3)ccc(Br)c12.
What is the InChIKey of [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone?
The InChIKey is CJVGJSBINIDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2O2/c37-31-22-20-28(26-16-8-10-18-30(26)36(40)24-13-5-2-6-14-24)34-32(38)21-19-27(33(31)34)25-15-7-9-17-29(25)35(39)23-11-3-1-4-12-23/h1-22H.
What are the key properties of [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone?
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone has a molecular weight of 646.38 g/mol, XLogP of 10.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 166012594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).