7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine

C33H32F3NO — CID 165160638

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
SMILESCc1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C33H32F3NO/c1-20-25-15-16-37-28(24-17-23-9-7-8-10-26(23)27(18-24)31(2,3)4)30(25)38-29(20)22-13-11-21(12-14-22)19-32(5,6)33(34,35)36/h7-18H,19H2,1-6H3
InChIKeyXGLLXXHTCZAAOD-UHFFFAOYSA-N
MW515.62 g/mol
LogP10.05
Rot. Bonds4

About 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (PubChem CID 165160638) has the molecular formula C33H32F3NO and a molecular weight of 515.62 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
PubChem CID165160638
Molecular FormulaC33H32F3NO
Molecular Weight515.62 g/mol
Exact Mass515.24
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
SMILESCc1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C33H32F3NO/c1-20-25-15-16-37-28(24-17-23-9-7-8-10-26(23)27(18-24)31(2,3)4)30(25)38-29(20)22-13-11-21(12-14-22)19-32(5,6)33(34,35)36/h7-18H,19H2,1-6H3
InChIKeyXGLLXXHTCZAAOD-UHFFFAOYSA-N
XLogP10.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (CID 165160638) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is Cc1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The InChIKey is XGLLXXHTCZAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3NO/c1-20-25-15-16-37-28(24-17-23-9-7-8-10-26(23)27(18-24)31(2,3)4)30(25)38-29(20)22-13-11-21(12-14-22)19-32(5,6)33(34,35)36/h7-18H,19H2,1-6H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine has a molecular weight of 515.62 g/mol, XLogP of 10.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is sourced from PubChem (CID 165160638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).