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

C70H24Br4F16N4 — CID 139183205

IUPAC4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(Br)ccc4-c4ccc(Br)cc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F.Fc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(Br)ccc4-c4ccc(Br)cc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F
InChIInChI=1S/2C35H12Br2F8N2/c2*36-15-3-7-19-20-8-4-16(37)12-24(20)35(23(19)11-15)21-9-13(25-27(38)31(42)46-32(43)28(25)39)1-5-17(21)18-6-2-14(10-22(18)35)26-29(40)33(44)47-34(45)30(26)41/h2*1-12H
InChIKeyQVIMGVNIPCNSBT-UHFFFAOYSA-N
MW1544.57 g/mol
LogP21.58
Rot. Bonds4

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

4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine (PubChem CID 139183205) has the molecular formula C70H24Br4F16N4 and a molecular weight of 1544.57 g/mol. Its IUPAC name is 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
PubChem CID139183205
Molecular FormulaC70H24Br4F16N4
Molecular Weight1544.57 g/mol
Exact Mass1539.85
IUPAC Name4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(Br)ccc4-c4ccc(Br)cc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F.Fc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(Br)ccc4-c4ccc(Br)cc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F
InChIInChI=1S/2C35H12Br2F8N2/c2*36-15-3-7-19-20-8-4-16(37)12-24(20)35(23(19)11-15)21-9-13(25-27(38)31(42)46-32(43)28(25)39)1-5-17(21)18-6-2-14(10-22(18)35)26-29(40)33(44)47-34(45)30(26)41/h2*1-12H
InChIKeyQVIMGVNIPCNSBT-UHFFFAOYSA-N
XLogP21.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001544.57
LogP ≤ 521.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-(4-Bromophenyl)-3-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)-6-pyridin-2-ylpyridine;3-(4-bromophenyl)-2-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)-6-pyridin-2-ylpyridine
CID 157088689
2-[3,5-Bis(4-bromophenyl)phenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine;2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-(3,5-diphenylphenyl)-2-pyridinyl]-9-phenylacridine;9-[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,10-diphenylacridine
CID 168386681

Frequently Asked Questions

What is the IUPAC name of 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine (CID 139183205) is 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine is Fc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(Br)ccc4-c4ccc(Br)cc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F.Fc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(Br)ccc4-c4ccc(Br)cc42)c2cc(-c4c(F)c(F)nc(F)c4F)ccc2-3)c1F.
What is the InChIKey of 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine?
The InChIKey is QVIMGVNIPCNSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H12Br2F8N2/c2*36-15-3-7-19-20-8-4-16(37)12-24(20)35(23(19)11-15)21-9-13(25-27(38)31(42)46-32(43)28(25)39)1-5-17(21)18-6-2-14(10-22(18)35)26-29(40)33(44)47-34(45)30(26)41/h2*1-12H.
What are the key properties of 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine?
4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine has a molecular weight of 1544.57 g/mol, XLogP of 21.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2',7'-dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 139183205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).