[2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide

C26H12F4N2 — CID 59194395

IUPAC[2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3cc(F)cc(F)c3)ccc2-c2ccc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C26H12F4N2/c27-18-5-16(6-19(28)11-18)14-1-3-22-23-4-2-15(17-7-20(29)12-21(30)8-17)10-25(23)26(32-13-31)24(22)9-14/h1-12H
InChIKeyAHRJGAUUBUXAIK-UHFFFAOYSA-N
MW428.39 g/mol
LogP6.88
Rot. Bonds2

About [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide

[2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide (PubChem CID 59194395) has the molecular formula C26H12F4N2 and a molecular weight of 428.39 g/mol. Its IUPAC name is [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide
PubChem CID59194395
Molecular FormulaC26H12F4N2
Molecular Weight428.39 g/mol
Exact Mass428.09
IUPAC Name[2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3cc(F)cc(F)c3)ccc2-c2ccc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C26H12F4N2/c27-18-5-16(6-19(28)11-18)14-1-3-22-23-4-2-15(17-7-20(29)12-21(30)8-17)10-25(23)26(32-13-31)24(22)9-14/h1-12H
InChIKeyAHRJGAUUBUXAIK-UHFFFAOYSA-N
XLogP6.88
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide (CID 59194395) is [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3cc(F)cc(F)c3)ccc2-c2ccc(-c3cc(F)cc(F)c3)cc21.
What is the InChIKey of [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide?
The InChIKey is AHRJGAUUBUXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F4N2/c27-18-5-16(6-19(28)11-18)14-1-3-22-23-4-2-15(17-7-20(29)12-21(30)8-17)10-25(23)26(32-13-31)24(22)9-14/h1-12H.
What are the key properties of [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide?
[2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide has a molecular weight of 428.39 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(3,5-difluorophenyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 59194395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).