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

C38H26F6 — CID 170293712

IUPAC2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
SMILESCCc1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)cc5)ccc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C38H26F6/c1-2-24-19-34(23-36(20-24)38(42,43)44)29-9-7-28(8-10-29)31-12-14-32-21-30(11-13-33(32)22-31)27-5-3-25(4-6-27)26-15-17-35(18-16-26)37(39,40)41/h3-23H,2H2,1H3
InChIKeyARLWDTQNCDICCD-UHFFFAOYSA-N
MW596.61 g/mol
LogP12.11
Rot. Bonds5

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

2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene (PubChem CID 170293712) has the molecular formula C38H26F6 and a molecular weight of 596.61 g/mol. Its IUPAC name is 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
PubChem CID170293712
Molecular FormulaC38H26F6
Molecular Weight596.61 g/mol
Exact Mass596.19
IUPAC Name2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
SMILESCCc1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)cc5)ccc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C38H26F6/c1-2-24-19-34(23-36(20-24)38(42,43)44)29-9-7-28(8-10-29)31-12-14-32-21-30(11-13-33(32)22-31)27-5-3-25(4-6-27)26-15-17-35(18-16-26)37(39,40)41/h3-23H,2H2,1H3
InChIKeyARLWDTQNCDICCD-UHFFFAOYSA-N
XLogP12.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.61
LogP ≤ 512.11
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
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
2-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174141348
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
8-[4-[7-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 170294498
3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
CID 134532799
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
The IUPAC name of 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene (CID 170293712) is 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
The canonical SMILES for 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene is CCc1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)cc5)ccc4c3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
The InChIKey is ARLWDTQNCDICCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26F6/c1-2-24-19-34(23-36(20-24)38(42,43)44)29-9-7-28(8-10-29)31-12-14-32-21-30(11-13-33(32)22-31)27-5-3-25(4-6-27)26-15-17-35(18-16-26)37(39,40)41/h3-23H,2H2,1H3.
What are the key properties of 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene has a molecular weight of 596.61 g/mol, XLogP of 12.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 170293712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).