bis(1,1'-biphenyl);carbonate

C25H20O3-2 — CID 23514328

IUPACbis(1,1'-biphenyl);carbonate
SMILESO=C([O-])[O-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.CH2O3/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h2*1-10H;(H2,2,3,4)/p-2
InChIKeyJAKQQNJMLCVDDC-UHFFFAOYSA-L
MW368.43 g/mol
LogP4.26
Rot. Bonds2

About bis(1,1'-biphenyl);carbonate

bis(1,1'-biphenyl);carbonate (PubChem CID 23514328) has the molecular formula C25H20O3-2 and a molecular weight of 368.43 g/mol. Its IUPAC name is bis(1,1'-biphenyl);carbonate.

Molecular Properties

Compound Namebis(1,1'-biphenyl);carbonate
PubChem CID23514328
Molecular FormulaC25H20O3-2
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Namebis(1,1'-biphenyl);carbonate
SMILESO=C([O-])[O-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.CH2O3/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h2*1-10H;(H2,2,3,4)/p-2
InChIKeyJAKQQNJMLCVDDC-UHFFFAOYSA-L
XLogP4.26
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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acetic acid;1,1'-biphenyl;zinc
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bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
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CID 161303410
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1,1'-biphenyl;oxaldehydic acid
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CID 67099988
1,1'-biphenyl;hydrofluoride
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Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);carbonate?
The IUPAC name of bis(1,1'-biphenyl);carbonate (CID 23514328) is bis(1,1'-biphenyl);carbonate.
What is the SMILES notation for bis(1,1'-biphenyl);carbonate?
The canonical SMILES for bis(1,1'-biphenyl);carbonate is O=C([O-])[O-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis(1,1'-biphenyl);carbonate?
The InChIKey is JAKQQNJMLCVDDC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10.CH2O3/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h2*1-10H;(H2,2,3,4)/p-2.
What are the key properties of bis(1,1'-biphenyl);carbonate?
bis(1,1'-biphenyl);carbonate has a molecular weight of 368.43 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);carbonate is sourced from PubChem (CID 23514328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).