2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C39H34F6N6 — CID 122218757

IUPAC2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3cc(C(F)(F)F)[nH]n3)n1)(c1cccc(-c3cc(C(F)(F)F)[nH]n3)n1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H34F6N6/c1-35(2,3)21-13-15-23-24-16-14-22(36(4,5)6)18-26(24)37(25(23)17-21,31-11-7-9-27(46-31)29-19-33(50-48-29)38(40,41)42)32-12-8-10-28(47-32)30-20-34(51-49-30)39(43,44)45/h7-20H,1-6H3,(H,48,50)(H,49,51)
InChIKeyBRXYZBNICBNVTI-UHFFFAOYSA-N
MW700.73 g/mol
LogP10.25
Rot. Bonds4

About 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 122218757) has the molecular formula C39H34F6N6 and a molecular weight of 700.73 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID122218757
Molecular FormulaC39H34F6N6
Molecular Weight700.73 g/mol
Exact Mass700.27
IUPAC Name2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3cc(C(F)(F)F)[nH]n3)n1)(c1cccc(-c3cc(C(F)(F)F)[nH]n3)n1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H34F6N6/c1-35(2,3)21-13-15-23-24-16-14-22(36(4,5)6)18-26(24)37(25(23)17-21,31-11-7-9-27(46-31)29-19-33(50-48-29)38(40,41)42)32-12-8-10-28(47-32)30-20-34(51-49-30)39(43,44)45/h7-20H,1-6H3,(H,48,50)(H,49,51)
InChIKeyBRXYZBNICBNVTI-UHFFFAOYSA-N
XLogP10.25
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.73
LogP ≤ 510.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 122218757) is 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3cc(C(F)(F)F)[nH]n3)n1)(c1cccc(-c3cc(C(F)(F)F)[nH]n3)n1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is BRXYZBNICBNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34F6N6/c1-35(2,3)21-13-15-23-24-16-14-22(36(4,5)6)18-26(24)37(25(23)17-21,31-11-7-9-27(46-31)29-19-33(50-48-29)38(40,41)42)32-12-8-10-28(47-32)30-20-34(51-49-30)39(43,44)45/h7-20H,1-6H3,(H,48,50)(H,49,51).
What are the key properties of 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 700.73 g/mol, XLogP of 10.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 122218757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).