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

C26H14F2N2 — CID 59194425

IUPAC[2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3cccc(F)c3)ccc2-c2ccc(-c3cccc(F)c3)cc21
InChIInChI=1S/C26H14F2N2/c27-20-5-1-3-16(11-20)18-7-9-22-23-10-8-19(17-4-2-6-21(28)12-17)14-25(23)26(30-15-29)24(22)13-18/h1-14H
InChIKeyMXLAKPQLCFZFIQ-UHFFFAOYSA-N
MW392.41 g/mol
LogP6.60
Rot. Bonds2

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

[2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide (PubChem CID 59194425) has the molecular formula C26H14F2N2 and a molecular weight of 392.41 g/mol. Its IUPAC name is [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide
PubChem CID59194425
Molecular FormulaC26H14F2N2
Molecular Weight392.41 g/mol
Exact Mass392.11
IUPAC Name[2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3cccc(F)c3)ccc2-c2ccc(-c3cccc(F)c3)cc21
InChIInChI=1S/C26H14F2N2/c27-20-5-1-3-16(11-20)18-7-9-22-23-10-8-19(17-4-2-6-21(28)12-17)14-25(23)26(30-15-29)24(22)13-18/h1-14H
InChIKeyMXLAKPQLCFZFIQ-UHFFFAOYSA-N
XLogP6.60
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 56.60
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-fluorophenyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide (CID 59194425) is [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3cccc(F)c3)ccc2-c2ccc(-c3cccc(F)c3)cc21.
What is the InChIKey of [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide?
The InChIKey is MXLAKPQLCFZFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2N2/c27-20-5-1-3-16(11-20)18-7-9-22-23-10-8-19(17-4-2-6-21(28)12-17)14-25(23)26(30-15-29)24(22)13-18/h1-14H.
What are the key properties of [2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide?
[2,7-bis(3-fluorophenyl)fluoren-9-ylidene]cyanamide has a molecular weight of 392.41 g/mol, XLogP of 6.60, 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-fluorophenyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 59194425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).