[2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide

C26H10F6N2 — CID 59194417

IUPAC[2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3cc(F)c(F)c(F)c3)ccc2-c2ccc(-c3cc(F)c(F)c(F)c3)cc21
InChIInChI=1S/C26H10F6N2/c27-20-7-14(8-21(28)24(20)31)12-1-3-16-17-4-2-13(15-9-22(29)25(32)23(30)10-15)6-19(17)26(34-11-33)18(16)5-12/h1-10H
InChIKeyJRNXLAIHYKJXHV-UHFFFAOYSA-N
MW464.37 g/mol
LogP7.15
Rot. Bonds2

About [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide

[2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide (PubChem CID 59194417) has the molecular formula C26H10F6N2 and a molecular weight of 464.37 g/mol. Its IUPAC name is [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide
PubChem CID59194417
Molecular FormulaC26H10F6N2
Molecular Weight464.37 g/mol
Exact Mass464.07
IUPAC Name[2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3cc(F)c(F)c(F)c3)ccc2-c2ccc(-c3cc(F)c(F)c(F)c3)cc21
InChIInChI=1S/C26H10F6N2/c27-20-7-14(8-21(28)24(20)31)12-1-3-16-17-4-2-13(15-9-22(29)25(32)23(30)10-15)6-19(17)26(34-11-33)18(16)5-12/h1-10H
InChIKeyJRNXLAIHYKJXHV-UHFFFAOYSA-N
XLogP7.15
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide (CID 59194417) is [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3cc(F)c(F)c(F)c3)ccc2-c2ccc(-c3cc(F)c(F)c(F)c3)cc21.
What is the InChIKey of [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide?
The InChIKey is JRNXLAIHYKJXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10F6N2/c27-20-7-14(8-21(28)24(20)31)12-1-3-16-17-4-2-13(15-9-22(29)25(32)23(30)10-15)6-19(17)26(34-11-33)18(16)5-12/h1-10H.
What are the key properties of [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide?
[2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide has a molecular weight of 464.37 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(3,4,5-trifluorophenyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 59194417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).