9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene

C26H17F3 — CID 162621152

IUPAC9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
SMILESFC(F)(F)c1ccc(-c2ccc(C3c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C26H17F3/c27-26(28,29)20-15-13-18(14-16-20)17-9-11-19(12-10-17)25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,25H
InChIKeyOYVCQECMVBZJRS-UHFFFAOYSA-N
MW386.42 g/mol
LogP7.53
Rot. Bonds2

About 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene

9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene (PubChem CID 162621152) has the molecular formula C26H17F3 and a molecular weight of 386.42 g/mol. Its IUPAC name is 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene.

Molecular Properties

Compound Name9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
PubChem CID162621152
Molecular FormulaC26H17F3
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
SMILESFC(F)(F)c1ccc(-c2ccc(C3c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C26H17F3/c27-26(28,29)20-15-13-18(14-16-20)17-9-11-19(12-10-17)25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,25H
InChIKeyOYVCQECMVBZJRS-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene?
The IUPAC name of 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene (CID 162621152) is 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene.
What is the SMILES notation for 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene?
The canonical SMILES for 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene is FC(F)(F)c1ccc(-c2ccc(C3c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene?
The InChIKey is OYVCQECMVBZJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3/c27-26(28,29)20-15-13-18(14-16-20)17-9-11-19(12-10-17)25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,25H.
What are the key properties of 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene?
9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene has a molecular weight of 386.42 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene is sourced from PubChem (CID 162621152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).