[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate

C21H15NO — CID 159261895

IUPAC[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate
SMILESCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OC#N
InChIInChI=1S/C21H15NO/c1-14-11-16(9-10-21(14)23-13-22)18-7-4-8-19-17-6-3-2-5-15(17)12-20(18)19/h2-11H,12H2,1H3
InChIKeyKWPQKUSNTMQJKD-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.09
Rot. Bonds2

About [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate

[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate (PubChem CID 159261895) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate.

Molecular Properties

Compound Name[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate
PubChem CID159261895
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate
SMILESCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OC#N
InChIInChI=1S/C21H15NO/c1-14-11-16(9-10-21(14)23-13-22)18-7-4-8-19-17-6-3-2-5-15(17)12-20(18)19/h2-11H,12H2,1H3
InChIKeyKWPQKUSNTMQJKD-UHFFFAOYSA-N
XLogP5.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate?
The IUPAC name of [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate (CID 159261895) is [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate.
What is the SMILES notation for [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate?
The canonical SMILES for [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate is Cc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OC#N.
What is the InChIKey of [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate?
The InChIKey is KWPQKUSNTMQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-14-11-16(9-10-21(14)23-13-22)18-7-4-8-19-17-6-3-2-5-15(17)12-20(18)19/h2-11H,12H2,1H3.
What are the key properties of [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate?
[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate has a molecular weight of 297.36 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate is sourced from PubChem (CID 159261895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).