anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione

C28H22O2 — CID 174264154

IUPACanthracene;1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=C(CCCC2)C(=O)c2ccccc21.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H12O2.C14H10/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6H,3-4,7-8H2;1-10H
InChIKeyIQNGWLCDCYCWSK-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.93
Rot. Bonds

About anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione

anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione (PubChem CID 174264154) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Nameanthracene;1,2,3,4-tetrahydroanthracene-9,10-dione
PubChem CID174264154
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Nameanthracene;1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=C(CCCC2)C(=O)c2ccccc21.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H12O2.C14H10/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6H,3-4,7-8H2;1-10H
InChIKeyIQNGWLCDCYCWSK-UHFFFAOYSA-N
XLogP6.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174898123
2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
CID 67640352
8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione
CID 178049561
anthracene-9,10-dione;2-methylanthracene
CID 159482173
lithium anthracene
CID 22662646
heptacene-7,16-dione
CID 44720481
hexacyclo[12.12.1.03,12.05,10.016,25.018,23]heptacosa-3(12),5,7,9,16,18,20,22,24-nonaene-4,11,27-trione
CID 15701025
4-amino-1-(4-amino-9,10-dioxoanthracen-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]naphthalene-5,11-dione
CID 163979453
3,4-dihydro-1H-benzo[g]isothiochromene-5,10-dione
CID 56615317
ethane;pentacene-6,13-dione
CID 91293848
methane;1,2,3,4-tetrahydroanthracene
CID 158805495
2,3-dihydro-1H-cyclopenta[b]fluoren-9-one
CID 132566207

Frequently Asked Questions

What is the IUPAC name of anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione?
The IUPAC name of anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione (CID 174264154) is anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione?
The canonical SMILES for anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione is O=C1C2=C(CCCC2)C(=O)c2ccccc21.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione?
The InChIKey is IQNGWLCDCYCWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C14H10/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6H,3-4,7-8H2;1-10H.
What are the key properties of anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione?
anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione has a molecular weight of 390.48 g/mol, XLogP of 6.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 174264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).