3-dodecyl-2-naphthalen-2-ylthiophene

C26H34S — CID 173129143

IUPAC3-dodecyl-2-naphthalen-2-ylthiophene
SMILESCCCCCCCCCCCCc1ccsc1-c1ccc2ccccc2c1
InChIInChI=1S/C26H34S/c1-2-3-4-5-6-7-8-9-10-11-15-23-19-20-27-26(23)25-18-17-22-14-12-13-16-24(22)21-25/h12-14,16-21H,2-11,15H2,1H3
InChIKeyWKTACROQIYCLON-UHFFFAOYSA-N
MW378.62 g/mol
LogP9.03
Rot. Bonds12

About 3-dodecyl-2-naphthalen-2-ylthiophene

3-dodecyl-2-naphthalen-2-ylthiophene (PubChem CID 173129143) has the molecular formula C26H34S and a molecular weight of 378.62 g/mol. Its IUPAC name is 3-dodecyl-2-naphthalen-2-ylthiophene.

Molecular Properties

Compound Name3-dodecyl-2-naphthalen-2-ylthiophene
PubChem CID173129143
Molecular FormulaC26H34S
Molecular Weight378.62 g/mol
Exact Mass378.24
IUPAC Name3-dodecyl-2-naphthalen-2-ylthiophene
SMILESCCCCCCCCCCCCc1ccsc1-c1ccc2ccccc2c1
InChIInChI=1S/C26H34S/c1-2-3-4-5-6-7-8-9-10-11-15-23-19-20-27-26(23)25-18-17-22-14-12-13-16-24(22)21-25/h12-14,16-21H,2-11,15H2,1H3
InChIKeyWKTACROQIYCLON-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hexadecyl-2-phenylthiophene
CID 101022658
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615
6,41-bis(3-hexylthiophen-2-yl)-12,35-dioxanonacyclo[34.8.0.02,11.03,8.014,23.017,22.024,33.025,30.039,44]tetratetraconta-1(36),2(11),3(8),4,6,9,14(23),15,17,19,21,24(33),25,27,29,31,37,39(44),40,42-icosaene
CID 122227164
2-(4-bromophenyl)-3-hexylthiophene
CID 102310139
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
3-butyl-2-(3,4-dimethoxyphenyl)thiophene
CID 25132177
2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine
CID 140687475
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
3,4-dimethyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 91212420
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-naphthalen-2-ylthiophene?
The IUPAC name of 3-dodecyl-2-naphthalen-2-ylthiophene (CID 173129143) is 3-dodecyl-2-naphthalen-2-ylthiophene.
What is the SMILES notation for 3-dodecyl-2-naphthalen-2-ylthiophene?
The canonical SMILES for 3-dodecyl-2-naphthalen-2-ylthiophene is CCCCCCCCCCCCc1ccsc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-dodecyl-2-naphthalen-2-ylthiophene?
The InChIKey is WKTACROQIYCLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34S/c1-2-3-4-5-6-7-8-9-10-11-15-23-19-20-27-26(23)25-18-17-22-14-12-13-16-24(22)21-25/h12-14,16-21H,2-11,15H2,1H3.
What are the key properties of 3-dodecyl-2-naphthalen-2-ylthiophene?
3-dodecyl-2-naphthalen-2-ylthiophene has a molecular weight of 378.62 g/mol, XLogP of 9.03, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-2-naphthalen-2-ylthiophene is sourced from PubChem (CID 173129143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).