1H-cyclopenta[a]phenanthrene

C17H12 — CID 6451370

IUPAC1H-cyclopenta[a]phenanthrene
SMILESC1=CCc2c(ccc3c4c(ccc23)=CC=C4)=C1
InChIInChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-5,7-11H,6H2
InChIKeyOWHMXYBETKACKV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.54
Rot. Bonds

About 1H-cyclopenta[a]phenanthrene

1H-cyclopenta[a]phenanthrene (PubChem CID 6451370) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name1H-cyclopenta[a]phenanthrene
PubChem CID6451370
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Name1H-cyclopenta[a]phenanthrene
SMILESC1=CCc2c(ccc3c4c(ccc23)=CC=C4)=C1
InChIInChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-5,7-11H,6H2
InChIKeyOWHMXYBETKACKV-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[a]phenanthrene?
The IUPAC name of 1H-cyclopenta[a]phenanthrene (CID 6451370) is 1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 1H-cyclopenta[a]phenanthrene?
The canonical SMILES for 1H-cyclopenta[a]phenanthrene is C1=CCc2c(ccc3c4c(ccc23)=CC=C4)=C1.
What is the InChIKey of 1H-cyclopenta[a]phenanthrene?
The InChIKey is OWHMXYBETKACKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-5,7-11H,6H2.
What are the key properties of 1H-cyclopenta[a]phenanthrene?
1H-cyclopenta[a]phenanthrene has a molecular weight of 216.28 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 6451370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).