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

C26H14F2N2 — CID 59194444

IUPAC[2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccc(F)cc3)ccc2-c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C26H14F2N2/c27-20-7-1-16(2-8-20)18-5-11-22-23-12-6-19(17-3-9-21(28)10-4-17)14-25(23)26(30-15-29)24(22)13-18/h1-14H
InChIKeyUCUWFVOOCOBGEM-UHFFFAOYSA-N
MW392.41 g/mol
LogP6.60
Rot. Bonds2

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

[2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide (PubChem CID 59194444) has the molecular formula C26H14F2N2 and a molecular weight of 392.41 g/mol. Its IUPAC name is [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide
PubChem CID59194444
Molecular FormulaC26H14F2N2
Molecular Weight392.41 g/mol
Exact Mass392.11
IUPAC Name[2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccc(F)cc3)ccc2-c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C26H14F2N2/c27-20-7-1-16(2-8-20)18-5-11-22-23-12-6-19(17-3-9-21(28)10-4-17)14-25(23)26(30-15-29)24(22)13-18/h1-14H
InChIKeyUCUWFVOOCOBGEM-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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Related Compounds

9-[Bis(2,4,6-trifluorophenyl)boranylhydrazinylidene]fluorene
CID 168342431
11-Diazobenzo[b]fluorene
CID 12122818
1-Diphenylmethylene-2-(9H-fluoren-9-ylidene)hydrazine
CID 57425821
11-Diazo-11h-benzo[a]fluorene
CID 91374054
1-(9H-fluoren-2-yl)-2,2,2-trifluoro-N-methylethanimine
CID 57603502
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
CID 57603518
1-(9H-fluoren-2-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine
CID 57603532
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5-octafluoro-N-methylpentan-1-imine
CID 57603535
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methylheptan-1-imine
CID 57603540
[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509759
[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 58509760
[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509769

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide (CID 59194444) is [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3ccc(F)cc3)ccc2-c2ccc(-c3ccc(F)cc3)cc21.
What is the InChIKey of [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide?
The InChIKey is UCUWFVOOCOBGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2N2/c27-20-7-1-16(2-8-20)18-5-11-22-23-12-6-19(17-3-9-21(28)10-4-17)14-25(23)26(30-15-29)24(22)13-18/h1-14H.
What are the key properties of [2,7-bis(4-fluorophenyl)fluoren-9-ylidene]cyanamide?
[2,7-bis(4-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(4-fluorophenyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 59194444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).