4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine

C37H20F6N2 — CID 152849193

IUPAC4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine
SMILESFC(F)(F)c1ccnc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cc(C(F)(F)F)ccn4)cc32)c1
InChIInChI=1S/C37H20F6N2/c38-36(39,40)23-13-15-44-33(19-23)21-9-11-27-25-5-1-3-7-29(25)35(31(27)17-21)30-8-4-2-6-26(30)28-12-10-22(18-32(28)35)34-20-24(14-16-45-34)37(41,42)43/h1-20H
InChIKeyTUVWYBPALWALDW-UHFFFAOYSA-N
MW606.57 g/mol
LogP10.19
Rot. Bonds2

About 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine

4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine (PubChem CID 152849193) has the molecular formula C37H20F6N2 and a molecular weight of 606.57 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine
PubChem CID152849193
Molecular FormulaC37H20F6N2
Molecular Weight606.57 g/mol
Exact Mass606.15
IUPAC Name4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine
SMILESFC(F)(F)c1ccnc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cc(C(F)(F)F)ccn4)cc32)c1
InChIInChI=1S/C37H20F6N2/c38-36(39,40)23-13-15-44-33(19-23)21-9-11-27-25-5-1-3-7-29(25)35(31(27)17-21)30-8-4-2-6-26(30)28-12-10-22(18-32(28)35)34-20-24(14-16-45-34)37(41,42)43/h1-20H
InChIKeyTUVWYBPALWALDW-UHFFFAOYSA-N
XLogP10.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.57
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine with MolForge

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Related Compounds

(anthracen-9-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine
CID 10079224
5,5-Bis(4-pyridinylmethyl)-indeno-[1,2-b]pyridine
CID 10545749
5,5-Bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine
CID 10810126
3-[2-[4-Fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264841
5-[(2-Fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
CID 10546928
4-phenyl-2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 118719748
4-phenyl-2-pyridin-3-yl-5H-indeno[1,2-b]pyridine
CID 134136012
(1R,2S,3S,4S,9R,10R,11R,12S)-5,8-dipyridin-2-yl-6,7-diazahexacyclo[10.6.1.13,10.02,11.04,9.013,18]icosa-5,7,13,15,17-pentaene
CID 44532265
2-phenyl-4-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 122183814
2-phenyl-4-pyridin-3-yl-5H-indeno[1,2-b]pyridine
CID 122183815
2-phenyl-4-pyridin-4-yl-5H-indeno[1,2-b]pyridine
CID 122183816
4-phenyl-2-pyridin-4-yl-5H-indeno[1,2-b]pyridine
CID 134156960

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine?
The IUPAC name of 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine (CID 152849193) is 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine.
What is the SMILES notation for 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine?
The canonical SMILES for 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine is FC(F)(F)c1ccnc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cc(C(F)(F)F)ccn4)cc32)c1.
What is the InChIKey of 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine?
The InChIKey is TUVWYBPALWALDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20F6N2/c38-36(39,40)23-13-15-44-33(19-23)21-9-11-27-25-5-1-3-7-29(25)35(31(27)17-21)30-8-4-2-6-26(30)28-12-10-22(18-32(28)35)34-20-24(14-16-45-34)37(41,42)43/h1-20H.
What are the key properties of 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine?
4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine has a molecular weight of 606.57 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[2'-[4-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2-yl]pyridine is sourced from PubChem (CID 152849193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).