(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide

C23H12F2N4 — CID 130459790

IUPAC(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide
SMILESCC12C=CC(F)=CC1/C(=N\C#N)c1cc3c(cc12)/C(=N/C#N)c1cc(F)ccc1-3
InChIInChI=1S/C23H12F2N4/c1-23-5-4-13(25)7-20(23)22(29-11-27)18-8-15-14-3-2-12(24)6-16(14)21(28-10-26)17(15)9-19(18)23/h2-9,20H,1H3/b28-21+,29-22-
InChIKeyUQEUDBCJONUHCP-PFLWBVFGSA-N
MW382.37 g/mol
LogP4.71
Rot. Bonds

About (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide

(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide (PubChem CID 130459790) has the molecular formula C23H12F2N4 and a molecular weight of 382.37 g/mol. Its IUPAC name is (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide.

Molecular Properties

Compound Name(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide
PubChem CID130459790
Molecular FormulaC23H12F2N4
Molecular Weight382.37 g/mol
Exact Mass382.10
IUPAC Name(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide
SMILESCC12C=CC(F)=CC1/C(=N\C#N)c1cc3c(cc12)/C(=N/C#N)c1cc(F)ccc1-3
InChIInChI=1S/C23H12F2N4/c1-23-5-4-13(25)7-20(23)22(29-11-27)18-8-15-14-3-2-12(24)6-16(14)21(28-10-26)17(15)9-19(18)23/h2-9,20H,1H3/b28-21+,29-22-
InChIKeyUQEUDBCJONUHCP-PFLWBVFGSA-N
XLogP4.71
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide?
The IUPAC name of (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide (CID 130459790) is (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide.
What is the SMILES notation for (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide?
The canonical SMILES for (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide is CC12C=CC(F)=CC1/C(=N\C#N)c1cc3c(cc12)/C(=N/C#N)c1cc(F)ccc1-3.
What is the InChIKey of (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide?
The InChIKey is UQEUDBCJONUHCP-PFLWBVFGSA-N. The full InChI is InChI=1S/C23H12F2N4/c1-23-5-4-13(25)7-20(23)22(29-11-27)18-8-15-14-3-2-12(24)6-16(14)21(28-10-26)17(15)9-19(18)23/h2-9,20H,1H3/b28-21+,29-22-.
What are the key properties of (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide?
(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide has a molecular weight of 382.37 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide is sourced from PubChem (CID 130459790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).