[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide

C24H8F6N4 — CID 90206169

IUPAC[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
SMILESN#C/N=c1\c2cc(C(F)(F)F)ccc2c2cc3c(cc12)/c(=N/C#N)c1cc(C(F)(F)F)ccc13
InChIInChI=1S/C24H8F6N4/c25-23(26,27)11-1-3-13-15-7-16-14-4-2-12(24(28,29)30)6-18(14)22(34-10-32)20(16)8-19(15)21(33-9-31)17(13)5-11/h1-8H/b33-21+,34-22+
InChIKeyIVMGZDQQUMAAFK-WXGDAXOSSA-N
MW466.34 g/mol
LogP5.98
Rot. Bonds

About [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide

[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide (PubChem CID 90206169) has the molecular formula C24H8F6N4 and a molecular weight of 466.34 g/mol. Its IUPAC name is [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
PubChem CID90206169
Molecular FormulaC24H8F6N4
Molecular Weight466.34 g/mol
Exact Mass466.07
IUPAC Name[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
SMILESN#C/N=c1\c2cc(C(F)(F)F)ccc2c2cc3c(cc12)/c(=N/C#N)c1cc(C(F)(F)F)ccc13
InChIInChI=1S/C24H8F6N4/c25-23(26,27)11-1-3-13-15-7-16-14-4-2-12(24(28,29)30)6-18(14)22(34-10-32)20(16)8-19(15)21(33-9-31)17(13)5-11/h1-8H/b33-21+,34-22+
InChIKeyIVMGZDQQUMAAFK-WXGDAXOSSA-N
XLogP5.98
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-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

[6-cyanoimino-8-methyl-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 162567490
[(6Z)-6-isocyanoimino-8-(4-phenylphenyl)-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123831706
[6-isocyanoimino-2,8-bis[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 90740041
[2-fluoro-6-isocyanoimino-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 91363734
[(6E)-6-isocyanoimino-8-naphthalen-1-yl-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509801
[20-cyanoimino-7,17-bis[2-fluoro-4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]cyanamide
CID 87431353
[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 144950147
2,11-bis(trifluoromethyl)picene
CID 88902337
[8-[3,5-bis(trifluoromethyl)phenyl]-6-cyanoimino-2-[6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-yl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 139501530
[10-cyanoimino-2,8-bis(phenylsulfanyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
CID 139501646
[(6Z)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123218612
[2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 91155803

Frequently Asked Questions

What is the IUPAC name of [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide (CID 90206169) is [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide is N#C/N=c1\c2cc(C(F)(F)F)ccc2c2cc3c(cc12)/c(=N/C#N)c1cc(C(F)(F)F)ccc13.
What is the InChIKey of [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide?
The InChIKey is IVMGZDQQUMAAFK-WXGDAXOSSA-N. The full InChI is InChI=1S/C24H8F6N4/c25-23(26,27)11-1-3-13-15-7-16-14-4-2-12(24(28,29)30)6-18(14)22(34-10-32)20(16)8-19(15)21(33-9-31)17(13)5-11/h1-8H/b33-21+,34-22+.
What are the key properties of [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide?
[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide has a molecular weight of 466.34 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 90206169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).