bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate

C37H26F2N2O3 — CID 90425883

IUPACbis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate
SMILESO=C(Oc1ncccc1Cc1ccc(-c2ccccc2F)cc1)Oc1ncccc1Cc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C37H26F2N2O3/c38-33-11-3-1-9-31(33)27-17-13-25(14-18-27)23-29-7-5-21-40-35(29)43-37(42)44-36-30(8-6-22-41-36)24-26-15-19-28(20-16-26)32-10-2-4-12-34(32)39/h1-22H,23-24H2
InChIKeyOMNARJIBBLMDOP-UHFFFAOYSA-N
MW584.62 g/mol
LogP8.85
Rot. Bonds8

About bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate

bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate (PubChem CID 90425883) has the molecular formula C37H26F2N2O3 and a molecular weight of 584.62 g/mol. Its IUPAC name is bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate.

Molecular Properties

Compound Namebis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate
PubChem CID90425883
Molecular FormulaC37H26F2N2O3
Molecular Weight584.62 g/mol
Exact Mass584.19
IUPAC Namebis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate
SMILESO=C(Oc1ncccc1Cc1ccc(-c2ccccc2F)cc1)Oc1ncccc1Cc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C37H26F2N2O3/c38-33-11-3-1-9-31(33)27-17-13-25(14-18-27)23-29-7-5-21-40-35(29)43-37(42)44-36-30(8-6-22-41-36)24-26-15-19-28(20-16-26)32-10-2-4-12-34(32)39/h1-22H,23-24H2
InChIKeyOMNARJIBBLMDOP-UHFFFAOYSA-N
XLogP8.85
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.62
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[3-[(4-propylphenyl)methyl]-2-pyridinyl] carbonate
CID 90425314
3-benzyl-2-(2-fluorophenyl)pyridine
CID 175810729
1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one
CID 82541250
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 145126379
1-[4-[4-(2-fluorophenyl)phenyl]-2-pyridinyl]-2-(4-hydroxyphenyl)ethanone
CID 147519605
1,4-bis(2-fluorophenyl)benzene
CID 58121760
3-[4-(2-fluorophenyl)phenyl]propanal
CID 57240259
bis[4-(2-benzyl-6-phenylphenyl)phenyl] carbonate
CID 141423596
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
2-chloro-3-(2-fluorophenyl)pyridine
CID 46312040
(3-fluoro-2-pyridinyl) acetate
CID 15091012
(3-phenyl-2-pyridinyl) carbamate
CID 155234314

Frequently Asked Questions

What is the IUPAC name of bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate?
The IUPAC name of bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate (CID 90425883) is bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate.
What is the SMILES notation for bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate?
The canonical SMILES for bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate is O=C(Oc1ncccc1Cc1ccc(-c2ccccc2F)cc1)Oc1ncccc1Cc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate?
The InChIKey is OMNARJIBBLMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F2N2O3/c38-33-11-3-1-9-31(33)27-17-13-25(14-18-27)23-29-7-5-21-40-35(29)43-37(42)44-36-30(8-6-22-41-36)24-26-15-19-28(20-16-26)32-10-2-4-12-34(32)39/h1-22H,23-24H2.
What are the key properties of bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate?
bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate has a molecular weight of 584.62 g/mol, XLogP of 8.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[[4-(2-fluorophenyl)phenyl]methyl]-2-pyridinyl] carbonate is sourced from PubChem (CID 90425883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).