2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine

C32H30F6N2 — CID 155908913

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(C(F)(F)F)cn2)c(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C32H30F6N2/c1-29(2,3)19-7-11-23(25(15-19)27-13-9-21(17-39-27)31(33,34)35)24-12-8-20(30(4,5)6)16-26(24)28-14-10-22(18-40-28)32(36,37)38/h7-18H,1-6H3
InChIKeyHJASYXMLIMQOMI-UHFFFAOYSA-N
MW556.59 g/mol
LogP10.11
Rot. Bonds3

About 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine

2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 155908913) has the molecular formula C32H30F6N2 and a molecular weight of 556.59 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
PubChem CID155908913
Molecular FormulaC32H30F6N2
Molecular Weight556.59 g/mol
Exact Mass556.23
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(C(F)(F)F)cn2)c(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C32H30F6N2/c1-29(2,3)19-7-11-23(25(15-19)27-13-9-21(17-39-27)31(33,34)35)24-12-8-20(30(4,5)6)16-26(24)28-14-10-22(18-40-28)32(36,37)38/h7-18H,1-6H3
InChIKeyHJASYXMLIMQOMI-UHFFFAOYSA-N
XLogP10.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.59
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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BC-1215
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5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
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2-(4-tert-Butylphenyl)pyridine
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CID 4249187
4-[6-(3,4-Difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine (CID 155908913) is 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(C(F)(F)F)cn2)c(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is HJASYXMLIMQOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F6N2/c1-29(2,3)19-7-11-23(25(15-19)27-13-9-21(17-39-27)31(33,34)35)24-12-8-20(30(4,5)6)16-26(24)28-14-10-22(18-40-28)32(36,37)38/h7-18H,1-6H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 556.59 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 155908913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).