cerium;1H-phenanthren-1-ide

C14H9Ce- — CID 175872569

IUPACcerium;1H-phenanthren-1-ide
SMILES[Ce].[c-]1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H9.Ce/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-5,7-10H;/q-1;
InChIKeyIPRKBSJVBLSQHU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.79
Rot. Bonds

About cerium;1H-phenanthren-1-ide

cerium;1H-phenanthren-1-ide (PubChem CID 175872569) has the molecular formula C14H9Ce- and a molecular weight of 317.34 g/mol. Its IUPAC name is cerium;1H-phenanthren-1-ide.

Molecular Properties

Compound Namecerium;1H-phenanthren-1-ide
PubChem CID175872569
Molecular FormulaC14H9Ce-
Molecular Weight317.34 g/mol
Exact Mass316.98
IUPAC Namecerium;1H-phenanthren-1-ide
SMILES[Ce].[c-]1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H9.Ce/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-5,7-10H;/q-1;
InChIKeyIPRKBSJVBLSQHU-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthrene;phosphane
CID 161431298
bis(1H-naphthalen-1-ide);bis(naphthalen-1-ol);oxotitanium(2+)
CID 88801704
phenanthrene;sulfane
CID 159172584
zinc bis(1H-naphthalen-1-ide)
CID 54742063
tetrakis(1H-naphthalen-1-ide);thorium(4+)
CID 159130001
phenanthrene;phosphinous acid
CID 174826862
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
anthracene;naphthalene;phenanthrene
CID 158591187
ethene;picene
CID 175286520
naphtho[1,2-b]phenanthrene
CID 5889

Frequently Asked Questions

What is the IUPAC name of cerium;1H-phenanthren-1-ide?
The IUPAC name of cerium;1H-phenanthren-1-ide (CID 175872569) is cerium;1H-phenanthren-1-ide.
What is the SMILES notation for cerium;1H-phenanthren-1-ide?
The canonical SMILES for cerium;1H-phenanthren-1-ide is [Ce].[c-]1cccc2c1ccc1ccccc12.
What is the InChIKey of cerium;1H-phenanthren-1-ide?
The InChIKey is IPRKBSJVBLSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9.Ce/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-5,7-10H;/q-1;.
What are the key properties of cerium;1H-phenanthren-1-ide?
cerium;1H-phenanthren-1-ide has a molecular weight of 317.34 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;1H-phenanthren-1-ide is sourced from PubChem (CID 175872569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).