5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine

C26H14F7N — CID 59859338

IUPAC5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine
SMILESCC1(C(F)(F)F)c2cc(-c3ccc(-c4ccccc4)cn3)ccc2-c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C26H14F7N/c1-25(26(31,32)33)17-11-14(18-10-8-15(12-34-18)13-5-3-2-4-6-13)7-9-16(17)19-20(25)22(28)24(30)23(29)21(19)27/h2-12H,1H3
InChIKeyDMSMIGBKCDHSOT-UHFFFAOYSA-N
MW473.39 g/mol
LogP7.82
Rot. Bonds2

About 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine

5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine (PubChem CID 59859338) has the molecular formula C26H14F7N and a molecular weight of 473.39 g/mol. Its IUPAC name is 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine.

Molecular Properties

Compound Name5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine
PubChem CID59859338
Molecular FormulaC26H14F7N
Molecular Weight473.39 g/mol
Exact Mass473.10
IUPAC Name5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine
SMILESCC1(C(F)(F)F)c2cc(-c3ccc(-c4ccccc4)cn3)ccc2-c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C26H14F7N/c1-25(26(31,32)33)17-11-14(18-10-8-15(12-34-18)13-5-3-2-4-6-13)7-9-16(17)19-20(25)22(28)24(30)23(29)21(19)27/h2-12H,1H3
InChIKeyDMSMIGBKCDHSOT-UHFFFAOYSA-N
XLogP7.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.39
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine?
The IUPAC name of 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine (CID 59859338) is 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine.
What is the SMILES notation for 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine?
The canonical SMILES for 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine is CC1(C(F)(F)F)c2cc(-c3ccc(-c4ccccc4)cn3)ccc2-c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine?
The InChIKey is DMSMIGBKCDHSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F7N/c1-25(26(31,32)33)17-11-14(18-10-8-15(12-34-18)13-5-3-2-4-6-13)7-9-16(17)19-20(25)22(28)24(30)23(29)21(19)27/h2-12H,1H3.
What are the key properties of 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine?
5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine has a molecular weight of 473.39 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[5,6,7,8-tetrafluoro-9-methyl-9-(trifluoromethyl)fluoren-2-yl]pyridine is sourced from PubChem (CID 59859338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).