anthracene

C14H10 — CID 8418

IUPACanthracene
SMILESc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
InChIKeyMWPLVEDNUUSJAV-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.99
Rot. Bonds

About anthracene

anthracene (PubChem CID 8418) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is anthracene.

Molecular Properties

Compound Nameanthracene
PubChem CID8418
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Nameanthracene
SMILESc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
InChIKeyMWPLVEDNUUSJAV-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Acenaphthylene
CID 9161

Frequently Asked Questions

What is the IUPAC name of anthracene?
The IUPAC name of anthracene (CID 8418) is anthracene.
What is the SMILES notation for anthracene?
The canonical SMILES for anthracene is c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene?
The InChIKey is MWPLVEDNUUSJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H.
What are the key properties of anthracene?
anthracene has a molecular weight of 178.23 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene is sourced from PubChem (CID 8418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).