anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene

C34H30 — CID 174858914

IUPACanthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
SMILESCCc1cc2c3c(ccc2c2ccccc12)CCCC3.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H20.C14H10/c1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h5-6,8,10-13H,2-4,7,9H2,1H3;1-10H
InChIKeyBSSPSKJPKPUVEL-UHFFFAOYSA-N
MW438.61 g/mol
LogP9.43
Rot. Bonds1

About anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene

anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174858914) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Nameanthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
PubChem CID174858914
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Nameanthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
SMILESCCc1cc2c3c(ccc2c2ccccc12)CCCC3.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H20.C14H10/c1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h5-6,8,10-13H,2-4,7,9H2,1H3;1-10H
InChIKeyBSSPSKJPKPUVEL-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene (CID 174858914) is anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene is CCc1cc2c3c(ccc2c2ccccc12)CCCC3.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is BSSPSKJPKPUVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20.C14H10/c1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h5-6,8,10-13H,2-4,7,9H2,1H3;1-10H.
What are the key properties of anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene?
anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 438.61 g/mol, XLogP of 9.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174858914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).