[(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 91155803
[2-fluoro-6-isocyanoimino-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 91363734
[(6Z)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123966900
[6-isocyanoimino-2,8-bis[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 90740041
[(26Z)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide
CID 123921491
[(12Z)-2,8-difluoro-12-isocyanoimino-5,11-diphenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 123848919
[(6Z)-6-isocyanoimino-8-(4-phenylphenyl)-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123831706
[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
CID 172988367
[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
CID 90206169
10-N,12-N-diisocyano-2,8-bis(3,4,5-trifluorophenyl)indeno[2,1-b]fluorene-10,12-diimine
CID 58518254
(26-cyanoimino-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene)cyanamide
CID 87431344
(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-difluoroindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-dinaphthalen-1-ylindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-diphenylindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6Z)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-dinaphthalen-1-ylindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-diphenylindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-1,2,3,4,7,8,9,10-octafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172989488

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).