1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane

C39H30F4 — CID 143925315

IUPAC1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane
SMILESCC.Fc1ccc(-c2cc(Cc3cc(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)c3)cc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C37H24F4.C2H6/c38-34-9-1-26(2-10-34)30-18-24(19-31(22-30)27-3-11-35(39)12-4-27)17-25-20-32(28-5-13-36(40)14-6-28)23-33(21-25)29-7-15-37(41)16-8-29;1-2/h1-16,18-23H,17H2;1-2H3
InChIKeyHHLRZPKTIAGWEN-UHFFFAOYSA-N
MW574.66 g/mol
LogP11.53
Rot. Bonds6

About 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane

1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane (PubChem CID 143925315) has the molecular formula C39H30F4 and a molecular weight of 574.66 g/mol. Its IUPAC name is 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane.

Molecular Properties

Compound Name1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane
PubChem CID143925315
Molecular FormulaC39H30F4
Molecular Weight574.66 g/mol
Exact Mass574.23
IUPAC Name1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane
SMILESCC.Fc1ccc(-c2cc(Cc3cc(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)c3)cc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C37H24F4.C2H6/c38-34-9-1-26(2-10-34)30-18-24(19-31(22-30)27-3-11-35(39)12-4-27)17-25-20-32(28-5-13-36(40)14-6-28)23-33(21-25)29-7-15-37(41)16-8-29;1-2/h1-16,18-23H,17H2;1-2H3
InChIKeyHHLRZPKTIAGWEN-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane?
The IUPAC name of 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane (CID 143925315) is 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane.
What is the SMILES notation for 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane?
The canonical SMILES for 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane is CC.Fc1ccc(-c2cc(Cc3cc(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)c3)cc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane?
The InChIKey is HHLRZPKTIAGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F4.C2H6/c38-34-9-1-26(2-10-34)30-18-24(19-31(22-30)27-3-11-35(39)12-4-27)17-25-20-32(28-5-13-36(40)14-6-28)23-33(21-25)29-7-15-37(41)16-8-29;1-2/h1-16,18-23H,17H2;1-2H3.
What are the key properties of 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane?
1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane has a molecular weight of 574.66 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane is sourced from PubChem (CID 143925315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).