[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide

C22H6F4N4 — CID 58509776

IUPAC[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/N=c1/c2cc3c(cc2c2c(F)cc(F)cc12)/c(=N/C#N)c1cc(F)cc(F)c13
InChIInChI=1S/C22H6F4N4/c1-28-30-22-14-7-11-13(6-12(14)20-16(22)3-10(24)5-18(20)26)21(29-8-27)15-2-9(23)4-17(25)19(11)15/h2-7H/b29-21-,30-22-
InChIKeyRARIFPLCVLVOER-DHQAUHHZSA-N
MW402.31 g/mol
LogP4.85
Rot. Bonds

About [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide

[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 58509776) has the molecular formula C22H6F4N4 and a molecular weight of 402.31 g/mol. Its IUPAC name is [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID58509776
Molecular FormulaC22H6F4N4
Molecular Weight402.31 g/mol
Exact Mass402.05
IUPAC Name[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/N=c1/c2cc3c(cc2c2c(F)cc(F)cc12)/c(=N/C#N)c1cc(F)cc(F)c13
InChIInChI=1S/C22H6F4N4/c1-28-30-22-14-7-11-13(6-12(14)20-16(22)3-10(24)5-18(20)26)21(29-8-27)15-2-9(23)4-17(25)19(11)15/h2-7H/b29-21-,30-22-
InChIKeyRARIFPLCVLVOER-DHQAUHHZSA-N
XLogP4.85
TPSA52.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 54.85
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 [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 58509776) is [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide is [C-]#[N+]/N=c1/c2cc3c(cc2c2c(F)cc(F)cc12)/c(=N/C#N)c1cc(F)cc(F)c13.
What is the InChIKey of [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is RARIFPLCVLVOER-DHQAUHHZSA-N. The full InChI is InChI=1S/C22H6F4N4/c1-28-30-22-14-7-11-13(6-12(14)20-16(22)3-10(24)5-18(20)26)21(29-8-27)15-2-9(23)4-17(25)19(11)15/h2-7H/b29-21-,30-22-.
What are the key properties of [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide?
[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 402.31 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 58509776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).