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

C33H32F3NO — CID 170660578

IUPAC7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
SMILESCc1cnc(-c2cc(C(C)(C)C)c3ccccc3c2)c2oc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)cc12
InChIInChI=1S/C33H32F3NO/c1-20-19-37-29(24-15-23-9-7-8-10-25(23)27(16-24)31(2,3)4)30-26(20)17-28(38-30)22-13-11-21(12-14-22)18-32(5,6)33(34,35)36/h7-17,19H,18H2,1-6H3
InChIKeyMFEQNNXOXWZYAF-UHFFFAOYSA-N
MW515.62 g/mol
LogP10.05
Rot. Bonds4

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

7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (PubChem CID 170660578) has the molecular formula C33H32F3NO and a molecular weight of 515.62 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-4-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)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
PubChem CID170660578
Molecular FormulaC33H32F3NO
Molecular Weight515.62 g/mol
Exact Mass515.24
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
SMILESCc1cnc(-c2cc(C(C)(C)C)c3ccccc3c2)c2oc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)cc12
InChIInChI=1S/C33H32F3NO/c1-20-19-37-29(24-15-23-9-7-8-10-25(23)27(16-24)31(2,3)4)30-26(20)17-28(38-30)22-13-11-21(12-14-22)18-32(5,6)33(34,35)36/h7-17,19H,18H2,1-6H3
InChIKeyMFEQNNXOXWZYAF-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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Related Compounds

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
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
7-(4-tert-butylnaphthalen-2-yl)-5-deuterio-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine
CID 164932068
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
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
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
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-6H-furo[2,3-b]pyridin-7-ium-6-ide
CID 170517191
[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane
CID 169052690
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-4-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)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (CID 170660578) is 7-(4-tert-butylnaphthalen-2-yl)-4-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)-4-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)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is Cc1cnc(-c2cc(C(C)(C)C)c3ccccc3c2)c2oc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)cc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The InChIKey is MFEQNNXOXWZYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3NO/c1-20-19-37-29(24-15-23-9-7-8-10-25(23)27(16-24)31(2,3)4)30-26(20)17-28(38-30)22-13-11-21(12-14-22)18-32(5,6)33(34,35)36/h7-17,19H,18H2,1-6H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-4-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)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is sourced from PubChem (CID 170660578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).