phenanthrene

C14H8 — CID 102321644

IUPACphenanthrene
SMILESC1=CC=C2C(=C=Cc3ccccc32)C=1
InChIInChI=1S/C14H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3-9H
InChIKeyXDRAJJKTRKPGRR-UHFFFAOYSA-N
MW176.22 g/mol
LogP3.35
Rot. Bonds

About phenanthrene

phenanthrene (PubChem CID 102321644) has the molecular formula C14H8 and a molecular weight of 176.22 g/mol. Its IUPAC name is phenanthrene.

Molecular Properties

Compound Namephenanthrene
PubChem CID102321644
Molecular FormulaC14H8
Molecular Weight176.22 g/mol
Exact Mass176.06
IUPAC Namephenanthrene
SMILESC1=CC=C2C(=C=Cc3ccccc32)C=1
InChIInChI=1S/C14H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3-9H
InChIKeyXDRAJJKTRKPGRR-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of phenanthrene?
The IUPAC name of phenanthrene (CID 102321644) is phenanthrene.
What is the SMILES notation for phenanthrene?
The canonical SMILES for phenanthrene is C1=CC=C2C(=C=Cc3ccccc32)C=1.
What is the InChIKey of phenanthrene?
The InChIKey is XDRAJJKTRKPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3-9H.
What are the key properties of phenanthrene?
phenanthrene has a molecular weight of 176.22 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene is sourced from PubChem (CID 102321644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).