anthracene;ethane;naphthalene

C32H42 — CID 159079166

IUPACanthracene;ethane;naphthalene
SMILESCC.CC.CC.CC.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C14H10.C10H8.4C2H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;4*1-2/h1-10H;1-8H;4*1-2H3
InChIKeyKAQHLULBKDDDJW-UHFFFAOYSA-N
MW426.69 g/mol
LogP10.94
Rot. Bonds

About anthracene;ethane;naphthalene

anthracene;ethane;naphthalene (PubChem CID 159079166) has the molecular formula C32H42 and a molecular weight of 426.69 g/mol. Its IUPAC name is anthracene;ethane;naphthalene.

Molecular Properties

Compound Nameanthracene;ethane;naphthalene
PubChem CID159079166
Molecular FormulaC32H42
Molecular Weight426.69 g/mol
Exact Mass426.33
IUPAC Nameanthracene;ethane;naphthalene
SMILESCC.CC.CC.CC.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C14H10.C10H8.4C2H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;4*1-2/h1-10H;1-8H;4*1-2H3
InChIKeyKAQHLULBKDDDJW-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 510.94
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

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CID 54171203
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CID 158474185
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Frequently Asked Questions

What is the IUPAC name of anthracene;ethane;naphthalene?
The IUPAC name of anthracene;ethane;naphthalene (CID 159079166) is anthracene;ethane;naphthalene.
What is the SMILES notation for anthracene;ethane;naphthalene?
The canonical SMILES for anthracene;ethane;naphthalene is CC.CC.CC.CC.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;ethane;naphthalene?
The InChIKey is KAQHLULBKDDDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C10H8.4C2H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;4*1-2/h1-10H;1-8H;4*1-2H3.
What are the key properties of anthracene;ethane;naphthalene?
anthracene;ethane;naphthalene has a molecular weight of 426.69 g/mol, XLogP of 10.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ethane;naphthalene is sourced from PubChem (CID 159079166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).