[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'}

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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).