10,10-dideuterio-9H-phenanthrene

C14H12 — CID 175927057

IUPAC10,10-dideuterio-9H-phenanthrene
SMILES[2H]C1([2H])Cc2ccccc2-c2ccccc21
InChIInChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2/i9D2
InChIKeyXXPBFNVKTVJZKF-KNXIQCGSSA-N
MW182.26 g/mol
LogP3.45
Rot. Bonds

About 10,10-dideuterio-9H-phenanthrene

10,10-dideuterio-9H-phenanthrene (PubChem CID 175927057) has the molecular formula C14H12 and a molecular weight of 182.26 g/mol. Its IUPAC name is 10,10-dideuterio-9H-phenanthrene.

Molecular Properties

Compound Name10,10-dideuterio-9H-phenanthrene
PubChem CID175927057
Molecular FormulaC14H12
Molecular Weight182.26 g/mol
Exact Mass182.11
IUPAC Name10,10-dideuterio-9H-phenanthrene
SMILES[2H]C1([2H])Cc2ccccc2-c2ccccc21
InChIInChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2/i9D2
InChIKeyXXPBFNVKTVJZKF-KNXIQCGSSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 10,10-dideuterio-9H-phenanthrene?
The IUPAC name of 10,10-dideuterio-9H-phenanthrene (CID 175927057) is 10,10-dideuterio-9H-phenanthrene.
What is the SMILES notation for 10,10-dideuterio-9H-phenanthrene?
The canonical SMILES for 10,10-dideuterio-9H-phenanthrene is [2H]C1([2H])Cc2ccccc2-c2ccccc21.
What is the InChIKey of 10,10-dideuterio-9H-phenanthrene?
The InChIKey is XXPBFNVKTVJZKF-KNXIQCGSSA-N. The full InChI is InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2/i9D2.
What are the key properties of 10,10-dideuterio-9H-phenanthrene?
10,10-dideuterio-9H-phenanthrene has a molecular weight of 182.26 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dideuterio-9H-phenanthrene is sourced from PubChem (CID 175927057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).