9,10-dihydrophenanthrene-2-carbonitrile

C15H11N — CID 141332736

IUPAC9,10-dihydrophenanthrene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C15H11N/c16-10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)15/h1-5,8-9H,6-7H2
InChIKeyCLFNNDMVSJCDLC-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.32
Rot. Bonds

About 9,10-dihydrophenanthrene-2-carbonitrile

9,10-dihydrophenanthrene-2-carbonitrile (PubChem CID 141332736) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 9,10-dihydrophenanthrene-2-carbonitrile.

Molecular Properties

Compound Name9,10-dihydrophenanthrene-2-carbonitrile
PubChem CID141332736
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name9,10-dihydrophenanthrene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C15H11N/c16-10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)15/h1-5,8-9H,6-7H2
InChIKeyCLFNNDMVSJCDLC-UHFFFAOYSA-N
XLogP3.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,10-dihydrophenanthrene-2-carbonitrile 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 9,10-dihydrophenanthrene-2-carbonitrile?
The IUPAC name of 9,10-dihydrophenanthrene-2-carbonitrile (CID 141332736) is 9,10-dihydrophenanthrene-2-carbonitrile.
What is the SMILES notation for 9,10-dihydrophenanthrene-2-carbonitrile?
The canonical SMILES for 9,10-dihydrophenanthrene-2-carbonitrile is N#Cc1ccc2c(c1)CCc1ccccc1-2.
What is the InChIKey of 9,10-dihydrophenanthrene-2-carbonitrile?
The InChIKey is CLFNNDMVSJCDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c16-10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)15/h1-5,8-9H,6-7H2.
What are the key properties of 9,10-dihydrophenanthrene-2-carbonitrile?
9,10-dihydrophenanthrene-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydrophenanthrene-2-carbonitrile is sourced from PubChem (CID 141332736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).