palladium;1,2,3,4-tetrahydrochrysene

C18H16Pd — CID 174462913

IUPACpalladium;1,2,3,4-tetrahydrochrysene
SMILES[Pd].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.Pd/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;/h1,3,5,7,9-12H,2,4,6,8H2;
InChIKeyGHWAOKJUTMMSIK-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.87
Rot. Bonds

About palladium;1,2,3,4-tetrahydrochrysene

palladium;1,2,3,4-tetrahydrochrysene (PubChem CID 174462913) has the molecular formula C18H16Pd and a molecular weight of 338.75 g/mol. Its IUPAC name is palladium;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namepalladium;1,2,3,4-tetrahydrochrysene
PubChem CID174462913
Molecular FormulaC18H16Pd
Molecular Weight338.75 g/mol
Exact Mass338.03
IUPAC Namepalladium;1,2,3,4-tetrahydrochrysene
SMILES[Pd].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.Pd/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;/h1,3,5,7,9-12H,2,4,6,8H2;
InChIKeyGHWAOKJUTMMSIK-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188
piperazine;1,2,3,4-tetrahydrochrysene;hydrobromide
CID 174879452
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
benzo[e][2]benzofuran;1,2,3,4-tetrahydrochrysene
CID 174838416
furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride
CID 174556475
ethene;1,2,3,4-tetrahydrochrysene;thiophene
CID 174759150
phthalic acid;1,2,3,4-tetrahydrochrysene
CID 174257293
sodium;furan;hydride;1,2,3,4-tetrahydrochrysene
CID 174855997

Frequently Asked Questions

What is the IUPAC name of palladium;1,2,3,4-tetrahydrochrysene?
The IUPAC name of palladium;1,2,3,4-tetrahydrochrysene (CID 174462913) is palladium;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for palladium;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for palladium;1,2,3,4-tetrahydrochrysene is [Pd].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of palladium;1,2,3,4-tetrahydrochrysene?
The InChIKey is GHWAOKJUTMMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.Pd/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;/h1,3,5,7,9-12H,2,4,6,8H2;.
What are the key properties of palladium;1,2,3,4-tetrahydrochrysene?
palladium;1,2,3,4-tetrahydrochrysene has a molecular weight of 338.75 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174462913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).