2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole

C28H16F6N2O2 — CID 58028247

IUPAC2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1cc(-c2nc3ccc(C(F)(F)F)cc3o2)cc2c(C)cc(-c3nc4ccc(C(F)(F)F)cc4o3)cc12
InChIInChI=1S/C28H16F6N2O2/c1-13-7-15(25-35-21-5-3-17(27(29,30)31)11-23(21)37-25)10-20-14(2)8-16(9-19(13)20)26-36-22-6-4-18(28(32,33)34)12-24(22)38-26/h3-12H,1-2H3
InChIKeySKDMAONMXXLOLI-UHFFFAOYSA-N
MW526.44 g/mol
LogP9.11
Rot. Bonds2

About 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole

2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 58028247) has the molecular formula C28H16F6N2O2 and a molecular weight of 526.44 g/mol. Its IUPAC name is 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
PubChem CID58028247
Molecular FormulaC28H16F6N2O2
Molecular Weight526.44 g/mol
Exact Mass526.11
IUPAC Name2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1cc(-c2nc3ccc(C(F)(F)F)cc3o2)cc2c(C)cc(-c3nc4ccc(C(F)(F)F)cc4o3)cc12
InChIInChI=1S/C28H16F6N2O2/c1-13-7-15(25-35-21-5-3-17(27(29,30)31)11-23(21)37-25)10-20-14(2)8-16(9-19(13)20)26-36-22-6-4-18(28(32,33)34)12-24(22)38-26/h3-12H,1-2H3
InChIKeySKDMAONMXXLOLI-UHFFFAOYSA-N
XLogP9.11
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole (CID 58028247) is 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole is Cc1cc(-c2nc3ccc(C(F)(F)F)cc3o2)cc2c(C)cc(-c3nc4ccc(C(F)(F)F)cc4o3)cc12.
What is the InChIKey of 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is SKDMAONMXXLOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F6N2O2/c1-13-7-15(25-35-21-5-3-17(27(29,30)31)11-23(21)37-25)10-20-14(2)8-16(9-19(13)20)26-36-22-6-4-18(28(32,33)34)12-24(22)38-26/h3-12H,1-2H3.
What are the key properties of 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 526.44 g/mol, XLogP of 9.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 58028247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).