2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene

C32H16F12 — CID 169293746

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H16F12/c33-29(34,35)25-11-23(12-26(15-25)30(36,37)38)18-3-1-17(2-4-18)19-5-6-21-10-22(8-7-20(21)9-19)24-13-27(31(39,40)41)16-28(14-24)32(42,43)44/h1-16H
InChIKeyZALUOLNTVDMTTC-UHFFFAOYSA-N
MW628.46 g/mol
LogP11.92
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene

2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene (PubChem CID 169293746) has the molecular formula C32H16F12 and a molecular weight of 628.46 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
PubChem CID169293746
Molecular FormulaC32H16F12
Molecular Weight628.46 g/mol
Exact Mass628.11
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H16F12/c33-29(34,35)25-11-23(12-26(15-25)30(36,37)38)18-3-1-17(2-4-18)19-5-6-21-10-22(8-7-20(21)9-19)24-13-27(31(39,40)41)16-28(14-24)32(42,43)44/h1-16H
InChIKeyZALUOLNTVDMTTC-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.46
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 11381476
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9H-carbazole
CID 175519372

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene (CID 169293746) is 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene is FC(F)(F)c1cc(-c2ccc(-c3ccc4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene?
The InChIKey is ZALUOLNTVDMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16F12/c33-29(34,35)25-11-23(12-26(15-25)30(36,37)38)18-3-1-17(2-4-18)19-5-6-21-10-22(8-7-20(21)9-19)24-13-27(31(39,40)41)16-28(14-24)32(42,43)44/h1-16H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene?
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene has a molecular weight of 628.46 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 169293746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).