1-dodecylpentacene

C34H38 — CID 141370235

IUPAC1-dodecylpentacene
SMILESCCCCCCCCCCCCc1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C34H38/c1-2-3-4-5-6-7-8-9-10-11-15-26-18-14-19-29-22-32-23-30-20-27-16-12-13-17-28(27)21-31(30)24-33(32)25-34(26)29/h12-14,16-25H,2-11,15H2,1H3
InChIKeyMGBMNXAAWIPRFW-UHFFFAOYSA-N
MW446.68 g/mol
LogP10.76
Rot. Bonds11

About 1-dodecylpentacene

1-dodecylpentacene (PubChem CID 141370235) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 1-dodecylpentacene.

Molecular Properties

Compound Name1-dodecylpentacene
PubChem CID141370235
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name1-dodecylpentacene
SMILESCCCCCCCCCCCCc1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C34H38/c1-2-3-4-5-6-7-8-9-10-11-15-26-18-14-19-29-22-32-23-30-20-27-16-12-13-17-28(27)21-31(30)24-33(32)25-34(26)29/h12-14,16-25H,2-11,15H2,1H3
InChIKeyMGBMNXAAWIPRFW-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium;1-hexylanthracene;hydride
CID 174350658
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
2,3-diheptylanthracene
CID 14089075
1-tetradecylnaphthalene
CID 14402128
2,3-dioctadecylpentacene
CID 91251003
4-tetracen-1-ylbutan-1-ol
CID 87369368
potassium;hydride;1-octylnaphthalene
CID 173443599
1-ethenyl-2-heptylanthracene
CID 173321573
1-ethenyl-2-hexylanthracene
CID 18927849
1,7-di(nonyl)naphthalene
CID 173372724
1-octadecylacridine
CID 87175858
1-nonylnaphthalene;sulfuric acid
CID 154996092

Frequently Asked Questions

What is the IUPAC name of 1-dodecylpentacene?
The IUPAC name of 1-dodecylpentacene (CID 141370235) is 1-dodecylpentacene.
What is the SMILES notation for 1-dodecylpentacene?
The canonical SMILES for 1-dodecylpentacene is CCCCCCCCCCCCc1cccc2cc3cc4cc5ccccc5cc4cc3cc12.
What is the InChIKey of 1-dodecylpentacene?
The InChIKey is MGBMNXAAWIPRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38/c1-2-3-4-5-6-7-8-9-10-11-15-26-18-14-19-29-22-32-23-30-20-27-16-12-13-17-28(27)21-31(30)24-33(32)25-34(26)29/h12-14,16-25H,2-11,15H2,1H3.
What are the key properties of 1-dodecylpentacene?
1-dodecylpentacene has a molecular weight of 446.68 g/mol, XLogP of 10.76, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpentacene is sourced from PubChem (CID 141370235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).