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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).