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

C35H12Br2F8N2 — CID 139183206

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
InChIInChI=1S/C35H12Br2F8N2/c36-15-3-7-19-20-8-4-16(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/h1-12H
InChIKeyXKUFBHWBKNQFCN-UHFFFAOYSA-N
MW772.29 g/mol
LogP10.79
Rot. Bonds2

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 139183206) has the molecular formula C35H12Br2F8N2 and a molecular weight of 772.29 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 CID139183206
Molecular FormulaC35H12Br2F8N2
Molecular Weight772.29 g/mol
Exact Mass769.92
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
InChIInChI=1S/C35H12Br2F8N2/c36-15-3-7-19-20-8-4-16(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/h1-12H
InChIKeyXKUFBHWBKNQFCN-UHFFFAOYSA-N
XLogP10.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.29
LogP ≤ 510.79
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

2,3,5,6-Tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine
CID 139183203
3-[[7-[(2,6-Difluoro-3-pyridinyl)methyl]-9,9-diphenylfluoren-2-yl]methyl]-2,6-difluoropyridine
CID 57832218
3-[4-[3-Bromo-5-[4-(2,6-difluoro-3-pyridinyl)phenyl]phenyl]phenyl]-2,6-difluoropyridine
CID 57832222
2-[5-(3-Bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine
CID 166050839
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
4-(2'-Bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine
CID 141440657
2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine
CID 58813976

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 139183206) 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.
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 XKUFBHWBKNQFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H12Br2F8N2/c36-15-3-7-19-20-8-4-16(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/h1-12H.
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 772.29 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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 139183206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).