2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene

C29H19F3 — CID 171056262

IUPAC2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C29H19F3/c30-29(31,32)28-17-15-24(16-18-28)23-7-5-21(6-8-23)22-9-11-25(12-10-22)27-14-13-20-3-1-2-4-26(20)19-27/h1-19H
InChIKeyQBFFTEDPEWQQRY-UHFFFAOYSA-N
MW424.47 g/mol
LogP8.86
Rot. Bonds3

About 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene

2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene (PubChem CID 171056262) has the molecular formula C29H19F3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
PubChem CID171056262
Molecular FormulaC29H19F3
Molecular Weight424.47 g/mol
Exact Mass424.14
IUPAC Name2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C29H19F3/c30-29(31,32)28-17-15-24(16-18-28)23-7-5-21(6-8-23)22-9-11-25(12-10-22)27-14-13-20-3-1-2-4-26(20)19-27/h1-19H
InChIKeyQBFFTEDPEWQQRY-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
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
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
trimethyl-[4-[4-[7-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenyl]silane
CID 169293833
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
The IUPAC name of 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene (CID 171056262) is 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
The canonical SMILES for 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene is FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
The InChIKey is QBFFTEDPEWQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F3/c30-29(31,32)28-17-15-24(16-18-28)23-7-5-21(6-8-23)22-9-11-25(12-10-22)27-14-13-20-3-1-2-4-26(20)19-27/h1-19H.
What are the key properties of 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene has a molecular weight of 424.47 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene is sourced from PubChem (CID 171056262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).