2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane

C27H20Br2O2 — CID 177395730

IUPAC2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane
SMILESBrc1ccccc1-c1cc(-c2ccccc2Br)cc(-c2ccccc2C2OCCO2)c1
InChIInChI=1S/C27H20Br2O2/c28-25-11-5-3-8-22(25)19-15-18(16-20(17-19)23-9-4-6-12-26(23)29)21-7-1-2-10-24(21)27-30-13-14-31-27/h1-12,15-17,27H,13-14H2
InChIKeyGAOOFODCHDUKGM-UHFFFAOYSA-N
MW536.26 g/mol
LogP8.26
Rot. Bonds4

About 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane

2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane (PubChem CID 177395730) has the molecular formula C27H20Br2O2 and a molecular weight of 536.26 g/mol. Its IUPAC name is 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane
PubChem CID177395730
Molecular FormulaC27H20Br2O2
Molecular Weight536.26 g/mol
Exact Mass533.98
IUPAC Name2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane
SMILESBrc1ccccc1-c1cc(-c2ccccc2Br)cc(-c2ccccc2C2OCCO2)c1
InChIInChI=1S/C27H20Br2O2/c28-25-11-5-3-8-22(25)19-15-18(16-20(17-19)23-9-4-6-12-26(23)29)21-7-1-2-10-24(21)27-30-13-14-31-27/h1-12,15-17,27H,13-14H2
InChIKeyGAOOFODCHDUKGM-UHFFFAOYSA-N
XLogP8.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.26
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1,3-dioxolan-2-yl)phenyl]aniline
CID 7021719
1-[3,5-bis(2-bromophenyl)phenyl]-2-bromo-4-tert-butylbenzene
CID 134191319
1-bromo-2-phenylbenzene;oxolane
CID 174944885
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
CID 54136106
2-[2-[2-(1,3-dioxolan-2-yl)phenyl]tellanylphenyl]-1,3-dioxolane
CID 3059910
(2S)-2-(2-bromophenyl)oxirane
CID 30071402
1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene
CID 175530244
2-(2-bromophenyl)-1,4,7,10-tetraoxacyclododecane
CID 619658
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
CID 164894958
4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
CID 90901779
2-[3-bromo-4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl-1,3-dioxolane
CID 58404118
2-[3-bromo-5-(1,3-dioxolan-2-yl)phenyl]isoindole-1,3-dione
CID 168517947

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane (CID 177395730) is 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane is Brc1ccccc1-c1cc(-c2ccccc2Br)cc(-c2ccccc2C2OCCO2)c1.
What is the InChIKey of 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane?
The InChIKey is GAOOFODCHDUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Br2O2/c28-25-11-5-3-8-22(25)19-15-18(16-20(17-19)23-9-4-6-12-26(23)29)21-7-1-2-10-24(21)27-30-13-14-31-27/h1-12,15-17,27H,13-14H2.
What are the key properties of 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane?
2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane has a molecular weight of 536.26 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 177395730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).