[2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide

C26H12F4N2 — CID 59194480

IUPAC[2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccc(F)c(F)c3)ccc2-c2ccc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C26H12F4N2/c27-22-7-3-16(11-24(22)29)14-1-5-18-19-6-2-15(17-4-8-23(28)25(30)12-17)10-21(19)26(32-13-31)20(18)9-14/h1-12H
InChIKeyOLSBJUACQOIICR-UHFFFAOYSA-N
MW428.39 g/mol
LogP6.88
Rot. Bonds2

About [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide

[2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide (PubChem CID 59194480) has the molecular formula C26H12F4N2 and a molecular weight of 428.39 g/mol. Its IUPAC name is [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide
PubChem CID59194480
Molecular FormulaC26H12F4N2
Molecular Weight428.39 g/mol
Exact Mass428.09
IUPAC Name[2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccc(F)c(F)c3)ccc2-c2ccc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C26H12F4N2/c27-22-7-3-16(11-24(22)29)14-1-5-18-19-6-2-15(17-4-8-23(28)25(30)12-17)10-21(19)26(32-13-31)20(18)9-14/h1-12H
InChIKeyOLSBJUACQOIICR-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(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide (CID 59194480) is [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3ccc(F)c(F)c3)ccc2-c2ccc(-c3ccc(F)c(F)c3)cc21.
What is the InChIKey of [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide?
The InChIKey is OLSBJUACQOIICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F4N2/c27-22-7-3-16(11-24(22)29)14-1-5-18-19-6-2-15(17-4-8-23(28)25(30)12-17)10-21(19)26(32-13-31)20(18)9-14/h1-12H.
What are the key properties of [2,7-bis(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide?
[2,7-bis(3,4-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(3,4-difluorophenyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 59194480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).