ethane;pentacene

C24H20 — CID 91470616

IUPACethane;pentacene
SMILESCC.c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIInChI=1S/C22H14.C2H6/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;1-2/h1-14H;1-2H3
InChIKeyBFTKZPODVVDZEZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP7.33
Rot. Bonds

About ethane;pentacene

ethane;pentacene (PubChem CID 91470616) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is ethane;pentacene.

Molecular Properties

Compound Nameethane;pentacene
PubChem CID91470616
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Nameethane;pentacene
SMILESCC.c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIInChI=1S/C22H14.C2H6/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;1-2/h1-14H;1-2H3
InChIKeyBFTKZPODVVDZEZ-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 57.33
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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Frequently Asked Questions

What is the IUPAC name of ethane;pentacene?
The IUPAC name of ethane;pentacene (CID 91470616) is ethane;pentacene.
What is the SMILES notation for ethane;pentacene?
The canonical SMILES for ethane;pentacene is CC.c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.
What is the InChIKey of ethane;pentacene?
The InChIKey is BFTKZPODVVDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14.C2H6/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;1-2/h1-14H;1-2H3.
What are the key properties of ethane;pentacene?
ethane;pentacene has a molecular weight of 308.42 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentacene is sourced from PubChem (CID 91470616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).