[(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide

C22H8F2N4 — CID 123582649

IUPAC[(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/N=c1/c2cc(F)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12
InChIInChI=1S/C22H8F2N4/c1-26-28-22-18-7-12(24)3-5-14(18)16-8-19-15(9-20(16)22)13-4-2-11(23)6-17(13)21(19)27-10-25/h2-9H/b27-21+,28-22-
InChIKeyRNVNPSOMFXCOJC-PLNZPELQSA-N
MW366.33 g/mol
LogP4.57
Rot. Bonds

About [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide

[(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 123582649) has the molecular formula C22H8F2N4 and a molecular weight of 366.33 g/mol. Its IUPAC name is [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name[(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID123582649
Molecular FormulaC22H8F2N4
Molecular Weight366.33 g/mol
Exact Mass366.07
IUPAC Name[(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/N=c1/c2cc(F)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12
InChIInChI=1S/C22H8F2N4/c1-26-28-22-18-7-12(24)3-5-14(18)16-8-19-15(9-20(16)22)13-4-2-11(23)6-17(13)21(19)27-10-25/h2-9H/b27-21+,28-22-
InChIKeyRNVNPSOMFXCOJC-PLNZPELQSA-N
XLogP4.57
TPSA52.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 123582649) is [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide is [C-]#[N+]/N=c1/c2cc(F)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12.
What is the InChIKey of [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is RNVNPSOMFXCOJC-PLNZPELQSA-N. The full InChI is InChI=1S/C22H8F2N4/c1-26-28-22-18-7-12(24)3-5-14(18)16-8-19-15(9-20(16)22)13-4-2-11(23)6-17(13)21(19)27-10-25/h2-9H/b27-21+,28-22-.
What are the key properties of [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
[(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 366.33 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 123582649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).