2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile

C17H11N3 — CID 86218019

IUPAC2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C17H11N3/c18-9-12(10-19)5-11-1-3-16-13(6-11)7-14-8-15(20)2-4-17(14)16/h1-6,8H,7,20H2
InChIKeyOUIBZLVEMBHHLU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.27
Rot. Bonds1

About 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile

2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile (PubChem CID 86218019) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile
PubChem CID86218019
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C17H11N3/c18-9-12(10-19)5-11-1-3-16-13(6-11)7-14-8-15(20)2-4-17(14)16/h1-6,8H,7,20H2
InChIKeyOUIBZLVEMBHHLU-UHFFFAOYSA-N
XLogP3.27
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile 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-(9H-fluoren-2-ylmethylidene)propanedinitrile
CID 134159255
9H-fluorene-2,7-diamine
CID 10679
9H-fluorene-2,7-diamine;tetrahydrochloride
CID 140751459
9H-fluoren-2-amine;hydrobromide
CID 141482724
7-ethynyl-9H-fluoren-2-amine
CID 118494896
2-[[3,5-bis(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
CID 100969781
bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
CID 163502937
ethane;9H-fluoren-2-amine
CID 142950354
9H-fluorene-3,6-diamine
CID 23110770
7-(4-methylphenyl)-9H-fluoren-2-amine
CID 59742324
2-N-iodo-9H-fluorene-2,7-diamine
CID 163741687
5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine
CID 142820657

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile (CID 86218019) is 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc2c(c1)Cc1cc(N)ccc1-2.
What is the InChIKey of 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile?
The InChIKey is OUIBZLVEMBHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-9-12(10-19)5-11-1-3-16-13(6-11)7-14-8-15(20)2-4-17(14)16/h1-6,8H,7,20H2.
What are the key properties of 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile?
2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile has a molecular weight of 257.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-9H-fluoren-2-yl)methylidene]propanedinitrile is sourced from PubChem (CID 86218019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).