1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene

C45H27F9 — CID 177484765

IUPAC1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C45H27F9/c46-43(47,48)40-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28)41(44(49,50)51)39(36-26-20-33(21-27-36)30-14-8-3-9-15-30)42(45(52,53)54)38(40)35-24-18-32(19-25-35)29-12-6-2-7-13-29/h1-27H
InChIKeyVSABTOQUQCYKSI-UHFFFAOYSA-N
MW738.69 g/mol
LogP14.74
Rot. Bonds6

About 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene

1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene (PubChem CID 177484765) has the molecular formula C45H27F9 and a molecular weight of 738.69 g/mol. Its IUPAC name is 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
PubChem CID177484765
Molecular FormulaC45H27F9
Molecular Weight738.69 g/mol
Exact Mass738.20
IUPAC Name1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C45H27F9/c46-43(47,48)40-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28)41(44(49,50)51)39(36-26-20-33(21-27-36)30-14-8-3-9-15-30)42(45(52,53)54)38(40)35-24-18-32(19-25-35)29-12-6-2-7-13-29/h1-27H
InChIKeyVSABTOQUQCYKSI-UHFFFAOYSA-N
XLogP14.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.69
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene (CID 177484765) is 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene is FC(F)(F)c1c(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene?
The InChIKey is VSABTOQUQCYKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27F9/c46-43(47,48)40-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28)41(44(49,50)51)39(36-26-20-33(21-27-36)30-14-8-3-9-15-30)42(45(52,53)54)38(40)35-24-18-32(19-25-35)29-12-6-2-7-13-29/h1-27H.
What are the key properties of 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene?
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene has a molecular weight of 738.69 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene is sourced from PubChem (CID 177484765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).