1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene

C48H24F18 — CID 154016845

IUPAC1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H24F18/c49-43(50,51)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(52,53)54)40(28-7-19-34(20-8-28)46(58,59)60)42(30-11-23-36(24-12-30)48(64,65)66)41(29-9-21-35(22-10-29)47(61,62)63)39(37)27-5-17-33(18-6-27)45(55,56)57/h1-24H
InChIKeyWZFLBWUZELQTGZ-UHFFFAOYSA-N
MW942.68 g/mol
LogP17.80
Rot. Bonds6

About 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene

1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene (PubChem CID 154016845) has the molecular formula C48H24F18 and a molecular weight of 942.68 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene
PubChem CID154016845
Molecular FormulaC48H24F18
Molecular Weight942.68 g/mol
Exact Mass942.16
IUPAC Name1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H24F18/c49-43(50,51)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(52,53)54)40(28-7-19-34(20-8-28)46(58,59)60)42(30-11-23-36(24-12-30)48(64,65)66)41(29-9-21-35(22-10-29)47(61,62)63)39(37)27-5-17-33(18-6-27)45(55,56)57/h1-24H
InChIKeyWZFLBWUZELQTGZ-UHFFFAOYSA-N
XLogP17.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.68
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene (CID 154016845) is 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is WZFLBWUZELQTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24F18/c49-43(50,51)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(52,53)54)40(28-7-19-34(20-8-28)46(58,59)60)42(30-11-23-36(24-12-30)48(64,65)66)41(29-9-21-35(22-10-29)47(61,62)63)39(37)27-5-17-33(18-6-27)45(55,56)57/h1-24H.
What are the key properties of 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene?
1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 942.68 g/mol, XLogP of 17.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 154016845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).