bis[3-(3-bromophenyl)phenyl]methanone;methane

C26H20Br2O — CID 158177415

IUPACbis[3-(3-bromophenyl)phenyl]methanone;methane
SMILESC.O=C(c1cccc(-c2cccc(Br)c2)c1)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C25H16Br2O.CH4/c26-23-11-3-7-19(15-23)17-5-1-9-21(13-17)25(28)22-10-2-6-18(14-22)20-8-4-12-24(27)16-20;/h1-16H;1H4
InChIKeyFYDYNZNYNCGJNF-UHFFFAOYSA-N
MW508.25 g/mol
LogP8.41
Rot. Bonds4

About bis[3-(3-bromophenyl)phenyl]methanone;methane

bis[3-(3-bromophenyl)phenyl]methanone;methane (PubChem CID 158177415) has the molecular formula C26H20Br2O and a molecular weight of 508.25 g/mol. Its IUPAC name is bis[3-(3-bromophenyl)phenyl]methanone;methane.

Molecular Properties

Compound Namebis[3-(3-bromophenyl)phenyl]methanone;methane
PubChem CID158177415
Molecular FormulaC26H20Br2O
Molecular Weight508.25 g/mol
Exact Mass505.99
IUPAC Namebis[3-(3-bromophenyl)phenyl]methanone;methane
SMILESC.O=C(c1cccc(-c2cccc(Br)c2)c1)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C25H16Br2O.CH4/c26-23-11-3-7-19(15-23)17-5-1-9-21(13-17)25(28)22-10-2-6-18(14-22)20-8-4-12-24(27)16-20;/h1-16H;1H4
InChIKeyFYDYNZNYNCGJNF-UHFFFAOYSA-N
XLogP8.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.25
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromophenyl)-(3-fluorophenyl)methanone
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CID 15437557
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
4-(3-bromobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 18526081
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
1-bromo-3-phenylbenzene
CID 16449
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
bis[2-(3-bromophenyl)phenyl]methanone
CID 54092576
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone
CID 126610776
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940

Frequently Asked Questions

What is the IUPAC name of bis[3-(3-bromophenyl)phenyl]methanone;methane?
The IUPAC name of bis[3-(3-bromophenyl)phenyl]methanone;methane (CID 158177415) is bis[3-(3-bromophenyl)phenyl]methanone;methane.
What is the SMILES notation for bis[3-(3-bromophenyl)phenyl]methanone;methane?
The canonical SMILES for bis[3-(3-bromophenyl)phenyl]methanone;methane is C.O=C(c1cccc(-c2cccc(Br)c2)c1)c1cccc(-c2cccc(Br)c2)c1.
What is the InChIKey of bis[3-(3-bromophenyl)phenyl]methanone;methane?
The InChIKey is FYDYNZNYNCGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2O.CH4/c26-23-11-3-7-19(15-23)17-5-1-9-21(13-17)25(28)22-10-2-6-18(14-22)20-8-4-12-24(27)16-20;/h1-16H;1H4.
What are the key properties of bis[3-(3-bromophenyl)phenyl]methanone;methane?
bis[3-(3-bromophenyl)phenyl]methanone;methane has a molecular weight of 508.25 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(3-bromophenyl)phenyl]methanone;methane is sourced from PubChem (CID 158177415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).