bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate

C41H32Br2O3 — CID 57033779

IUPACbis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate
SMILESO=C(OC(c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1)OC(c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C41H32Br2O3/c42-35-25-21-31(22-26-35)37(29-13-5-1-6-14-29)39(33-17-9-3-10-18-33)45-41(44)46-40(34-19-11-4-12-20-34)38(30-15-7-2-8-16-30)32-23-27-36(43)28-24-32/h1-28,37-40H
InChIKeyGSVRWWXMTTXLEI-UHFFFAOYSA-N
MW732.51 g/mol
LogP11.81
Rot. Bonds10

About bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate

bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate (PubChem CID 57033779) has the molecular formula C41H32Br2O3 and a molecular weight of 732.51 g/mol. Its IUPAC name is bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate.

Molecular Properties

Compound Namebis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate
PubChem CID57033779
Molecular FormulaC41H32Br2O3
Molecular Weight732.51 g/mol
Exact Mass730.07
IUPAC Namebis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate
SMILESO=C(OC(c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1)OC(c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C41H32Br2O3/c42-35-25-21-31(22-26-35)37(29-13-5-1-6-14-29)39(33-17-9-3-10-18-33)45-41(44)46-40(34-19-11-4-12-20-34)38(30-15-7-2-8-16-30)32-23-27-36(43)28-24-32/h1-28,37-40H
InChIKeyGSVRWWXMTTXLEI-UHFFFAOYSA-N
XLogP11.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.51
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate 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 bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate?
The IUPAC name of bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate (CID 57033779) is bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate.
What is the SMILES notation for bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate?
The canonical SMILES for bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate is O=C(OC(c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1)OC(c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate?
The InChIKey is GSVRWWXMTTXLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32Br2O3/c42-35-25-21-31(22-26-35)37(29-13-5-1-6-14-29)39(33-17-9-3-10-18-33)45-41(44)46-40(34-19-11-4-12-20-34)38(30-15-7-2-8-16-30)32-23-27-36(43)28-24-32/h1-28,37-40H.
What are the key properties of bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate?
bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate has a molecular weight of 732.51 g/mol, XLogP of 11.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-bromophenyl)-1,2-diphenylethyl] carbonate is sourced from PubChem (CID 57033779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).