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

C34H34F3NO — CID 170660657

IUPAC2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine
SMILESCCC(CC)c1cc(-c2nccc3cc(-c4ccc(CC(C)(C)C(F)(F)F)cc4C)oc23)cc2ccccc12
InChIInChI=1S/C34H34F3NO/c1-6-23(7-2)29-18-26(17-24-10-8-9-11-28(24)29)31-32-25(14-15-38-31)19-30(39-32)27-13-12-22(16-21(27)3)20-33(4,5)34(35,36)37/h8-19,23H,6-7,20H2,1-5H3
InChIKeyAUTZLIAYOQBIEA-UHFFFAOYSA-N
MW529.65 g/mol
LogP10.66
Rot. Bonds7

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

2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine (PubChem CID 170660657) has the molecular formula C34H34F3NO and a molecular weight of 529.65 g/mol. Its IUPAC name is 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine
PubChem CID170660657
Molecular FormulaC34H34F3NO
Molecular Weight529.65 g/mol
Exact Mass529.26
IUPAC Name2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine
SMILESCCC(CC)c1cc(-c2nccc3cc(-c4ccc(CC(C)(C)C(F)(F)F)cc4C)oc23)cc2ccccc12
InChIInChI=1S/C34H34F3NO/c1-6-23(7-2)29-18-26(17-24-10-8-9-11-28(24)29)31-32-25(14-15-38-31)19-30(39-32)27-13-12-22(16-21(27)3)20-33(4,5)34(35,36)37/h8-19,23H,6-7,20H2,1-5H3
InChIKeyAUTZLIAYOQBIEA-UHFFFAOYSA-N
XLogP10.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660561
dimethyl-[3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)furo[2,3-c]pyridin-2-yl]-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]silane
CID 170660375
7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660650
7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660578
6-(4-tert-butylnaphthalen-2-yl)-3-methyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]pyridazine
CID 164729416
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
CID 171718045
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247
4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine
CID 171746716
7-(3,5-dimethylphenyl)-2-phenylfuro[2,3-c]pyridine
CID 153444977
2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 171717908

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine?
The IUPAC name of 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine (CID 170660657) is 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine?
The canonical SMILES for 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine is CCC(CC)c1cc(-c2nccc3cc(-c4ccc(CC(C)(C)C(F)(F)F)cc4C)oc23)cc2ccccc12.
What is the InChIKey of 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine?
The InChIKey is AUTZLIAYOQBIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3NO/c1-6-23(7-2)29-18-26(17-24-10-8-9-11-28(24)29)31-32-25(14-15-38-31)19-30(39-32)27-13-12-22(16-21(27)3)20-33(4,5)34(35,36)37/h8-19,23H,6-7,20H2,1-5H3.
What are the key properties of 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine?
2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine has a molecular weight of 529.65 g/mol, XLogP of 10.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 170660657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).