2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine

C35H14F8N2 — CID 139183203

IUPAC2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine
SMILESFc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F
InChIInChI=1S/C35H14F8N2/c36-27-25(28(37)32(41)44-31(27)40)15-9-11-19-20-12-10-16(26-29(38)33(42)45-34(43)30(26)39)14-24(20)35(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)35/h1-14H
InChIKeyKYTLLSQQXHKCHP-UHFFFAOYSA-N
MW614.49 g/mol
LogP9.27
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine

2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine (PubChem CID 139183203) has the molecular formula C35H14F8N2 and a molecular weight of 614.49 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine
PubChem CID139183203
Molecular FormulaC35H14F8N2
Molecular Weight614.49 g/mol
Exact Mass614.10
IUPAC Name2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine
SMILESFc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F
InChIInChI=1S/C35H14F8N2/c36-27-25(28(37)32(41)44-31(27)40)15-9-11-19-20-12-10-16(26-29(38)33(42)45-34(43)30(26)39)14-24(20)35(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)35/h1-14H
InChIKeyKYTLLSQQXHKCHP-UHFFFAOYSA-N
XLogP9.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.49
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(9-(perfluoropyridin-4-yl)-9h-fluoren-9-yl)-N,N-diphenylaniline
CID 168011516
9-Cyano-9-(2,3,5,6-tetrafluoropyrid-4-yl)fluorene
CID 14315791
2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 102199116
4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine
CID 139120034
4-[2',7'-Dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
CID 139183206
4-(9-benzyl-9H-fluoren-9-yl)-2,3,5,6-tetrafluoropyridine
CID 4429549
3-[4-[3,5-Bis[4-(2,6-difluoro-3-pyridinyl)-2,3,5,6-tetrafluorophenyl]-2,4,6-trimethylphenyl]-2,3,5,6-tetrafluorophenyl]-2,6-difluoropyridine
CID 57832195
3-[4-[3,5-Bis[4-(2,6-difluoro-3-pyridinyl)-2,3,5,6-tetrafluorophenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2,6-difluoropyridine
CID 57832199
3-[4-[4-[3,5-Bis[4-[4-(2,6-difluoro-3-pyridinyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-2,4,6-trimethylphenyl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-2,6-difluoropyridine
CID 57832206
3-[4-[3,5-Bis[4-(2,6-difluoro-3-pyridinyl)phenyl]phenyl]phenyl]-2,6-difluoropyridine
CID 57832209
3-[[7-[(2,6-Difluoro-3-pyridinyl)methyl]-9,9-dimethylfluoren-2-yl]methyl]-2,6-difluoropyridine
CID 57832212
3-[[7-[(2,6-Difluoro-3-pyridinyl)methyl]-9,9-diphenylfluoren-2-yl]methyl]-2,6-difluoropyridine
CID 57832218

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine (CID 139183203) is 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine is Fc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine?
The InChIKey is KYTLLSQQXHKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H14F8N2/c36-27-25(28(37)32(41)44-31(27)40)15-9-11-19-20-12-10-16(26-29(38)33(42)45-34(43)30(26)39)14-24(20)35(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)35/h1-14H.
What are the key properties of 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine?
2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine has a molecular weight of 614.49 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine is sourced from PubChem (CID 139183203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).