6H-cyclopenta[a]phenanthrene-16-carbonitrile

C18H11N — CID 141101458

IUPAC6H-cyclopenta[a]phenanthrene-16-carbonitrile
SMILESN#CC1=Cc2ccc3c(c2=C1)=CCc1ccccc1-3
InChIInChI=1S/C18H11N/c19-11-12-9-14-6-8-16-15-4-2-1-3-13(15)5-7-17(16)18(14)10-12/h1-4,6-10H,5H2
InChIKeyYYEJFSGZAMCVNP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.39
Rot. Bonds

About 6H-cyclopenta[a]phenanthrene-16-carbonitrile

6H-cyclopenta[a]phenanthrene-16-carbonitrile (PubChem CID 141101458) has the molecular formula C18H11N and a molecular weight of 241.29 g/mol. Its IUPAC name is 6H-cyclopenta[a]phenanthrene-16-carbonitrile.

Molecular Properties

Compound Name6H-cyclopenta[a]phenanthrene-16-carbonitrile
PubChem CID141101458
Molecular FormulaC18H11N
Molecular Weight241.29 g/mol
Exact Mass241.09
IUPAC Name6H-cyclopenta[a]phenanthrene-16-carbonitrile
SMILESN#CC1=Cc2ccc3c(c2=C1)=CCc1ccccc1-3
InChIInChI=1S/C18H11N/c19-11-12-9-14-6-8-16-15-4-2-1-3-13(15)5-7-17(16)18(14)10-12/h1-4,6-10H,5H2
InChIKeyYYEJFSGZAMCVNP-UHFFFAOYSA-N
XLogP2.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6H-cyclopenta[a]phenanthrene-16-carbonitrile?
The IUPAC name of 6H-cyclopenta[a]phenanthrene-16-carbonitrile (CID 141101458) is 6H-cyclopenta[a]phenanthrene-16-carbonitrile.
What is the SMILES notation for 6H-cyclopenta[a]phenanthrene-16-carbonitrile?
The canonical SMILES for 6H-cyclopenta[a]phenanthrene-16-carbonitrile is N#CC1=Cc2ccc3c(c2=C1)=CCc1ccccc1-3.
What is the InChIKey of 6H-cyclopenta[a]phenanthrene-16-carbonitrile?
The InChIKey is YYEJFSGZAMCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N/c19-11-12-9-14-6-8-16-15-4-2-1-3-13(15)5-7-17(16)18(14)10-12/h1-4,6-10H,5H2.
What are the key properties of 6H-cyclopenta[a]phenanthrene-16-carbonitrile?
6H-cyclopenta[a]phenanthrene-16-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclopenta[a]phenanthrene-16-carbonitrile is sourced from PubChem (CID 141101458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).