2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene

C34H20F6 — CID 169293839

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
SMILESFC(F)(F)c1cc(-c2ccc3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H20F6/c35-33(36,37)29-18-28(19-30(20-29)34(38,39)40)27-15-14-25-16-24(12-13-26(25)17-27)21-8-10-23(11-9-21)32-7-3-5-22-4-1-2-6-31(22)32/h1-20H
InChIKeyLMBIBQOCRKUOMS-UHFFFAOYSA-N
MW542.52 g/mol
LogP11.03
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene

2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene (PubChem CID 169293839) has the molecular formula C34H20F6 and a molecular weight of 542.52 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
PubChem CID169293839
Molecular FormulaC34H20F6
Molecular Weight542.52 g/mol
Exact Mass542.15
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
SMILESFC(F)(F)c1cc(-c2ccc3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H20F6/c35-33(36,37)29-18-28(19-30(20-29)34(38,39)40)27-15-14-25-16-24(12-13-26(25)17-27)21-8-10-23(11-9-21)32-7-3-5-22-4-1-2-6-31(22)32/h1-20H
InChIKeyLMBIBQOCRKUOMS-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-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-deuterionaphthalen-1-yl]-2-deuterionaphthalene
CID 175746601
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-(3,5-diethylphenyl)-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 174141308
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene (CID 169293839) is 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene is FC(F)(F)c1cc(-c2ccc3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene?
The InChIKey is LMBIBQOCRKUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F6/c35-33(36,37)29-18-28(19-30(20-29)34(38,39)40)27-15-14-25-16-24(12-13-26(25)17-27)21-8-10-23(11-9-21)32-7-3-5-22-4-1-2-6-31(22)32/h1-20H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene?
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-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]-6-(4-naphthalen-1-ylphenyl)naphthalene is sourced from PubChem (CID 169293839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).