2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene

C34H20F6 — CID 169294050

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
SMILESFC(F)(F)c1cc(-c2ccc3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H20F6/c35-33(36,37)31-18-30(19-32(20-31)34(38,39)40)28-14-11-24-10-13-27(16-29(24)17-28)23-7-5-22(6-8-23)26-12-9-21-3-1-2-4-25(21)15-26/h1-20H
InChIKeyAVHDOCOCAZTQTF-UHFFFAOYSA-N
MW542.52 g/mol
LogP11.03
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene

2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene (PubChem CID 169294050) has the molecular formula C34H20F6 and a molecular weight of 542.52 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
PubChem CID169294050
Molecular FormulaC34H20F6
Molecular Weight542.52 g/mol
Exact Mass542.15
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
SMILESFC(F)(F)c1cc(-c2ccc3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H20F6/c35-33(36,37)31-18-30(19-32(20-31)34(38,39)40)28-14-11-24-10-13-27(16-29(24)17-28)23-7-5-22(6-8-23)26-12-9-21-3-1-2-4-25(21)15-26/h1-20H
InChIKeyAVHDOCOCAZTQTF-UHFFFAOYSA-N
XLogP11.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.52
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene
CID 163898153
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
2-naphthalen-2-yl-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293608
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene (CID 169294050) is 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene is FC(F)(F)c1cc(-c2ccc3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene?
The InChIKey is AVHDOCOCAZTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F6/c35-33(36,37)31-18-30(19-32(20-31)34(38,39)40)28-14-11-24-10-13-27(16-29(24)17-28)23-7-5-22(6-8-23)26-12-9-21-3-1-2-4-25(21)15-26/h1-20H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene?
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene has a molecular weight of 542.52 g/mol, XLogP of 11.03, 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]-7-(4-naphthalen-2-ylphenyl)naphthalene is sourced from PubChem (CID 169294050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).