2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine

C35H22F3NO — CID 170292791

IUPAC2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
SMILESCc1cc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)ccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H22F3NO/c1-21-14-28(18-29(15-21)35(36,37)38)25-9-7-22-16-24(8-6-23(22)17-25)27-10-12-32(39-20-27)26-11-13-34-31(19-26)30-4-2-3-5-33(30)40-34/h2-20H,1H3
InChIKeyFMKBMTKBRZZEGJ-UHFFFAOYSA-N
MW529.56 g/mol
LogP10.46
Rot. Bonds3

About 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine

2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine (PubChem CID 170292791) has the molecular formula C35H22F3NO and a molecular weight of 529.56 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
PubChem CID170292791
Molecular FormulaC35H22F3NO
Molecular Weight529.56 g/mol
Exact Mass529.17
IUPAC Name2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
SMILESCc1cc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)ccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H22F3NO/c1-21-14-28(18-29(15-21)35(36,37)38)25-9-7-22-16-24(8-6-23(22)17-25)27-10-12-32(39-20-27)26-11-13-34-31(19-26)30-4-2-3-5-33(30)40-34/h2-20H,1H3
InChIKeyFMKBMTKBRZZEGJ-UHFFFAOYSA-N
XLogP10.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The IUPAC name of 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine (CID 170292791) is 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine is Cc1cc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)ccc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The InChIKey is FMKBMTKBRZZEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F3NO/c1-21-14-28(18-29(15-21)35(36,37)38)25-9-7-22-16-24(8-6-23(22)17-25)27-10-12-32(39-20-27)26-11-13-34-31(19-26)30-4-2-3-5-33(30)40-34/h2-20H,1H3.
What are the key properties of 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine has a molecular weight of 529.56 g/mol, XLogP of 10.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-5-[6-[3-methyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 170292791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).