2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene

C27H26S5 — CID 175177834

IUPAC2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene
SMILESCC(c1cccs1)C(CC(c1cccs1)C(Cc1cccs1)c1cccs1)c1cccs1
InChIInChI=1S/C27H26S5/c1-19(24-8-3-13-29-24)21(25-9-4-14-30-25)18-23(27-11-6-16-32-27)22(26-10-5-15-31-26)17-20-7-2-12-28-20/h2-16,19,21-23H,17-18H2,1H3
InChIKeyRYFIGRQVXMIVAB-UHFFFAOYSA-N
MW510.84 g/mol
LogP10.08
Rot. Bonds10

About 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene

2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene (PubChem CID 175177834) has the molecular formula C27H26S5 and a molecular weight of 510.84 g/mol. Its IUPAC name is 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene.

Molecular Properties

Compound Name2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene
PubChem CID175177834
Molecular FormulaC27H26S5
Molecular Weight510.84 g/mol
Exact Mass510.06
IUPAC Name2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene
SMILESCC(c1cccs1)C(CC(c1cccs1)C(Cc1cccs1)c1cccs1)c1cccs1
InChIInChI=1S/C27H26S5/c1-19(24-8-3-13-29-24)21(25-9-4-14-30-25)18-23(27-11-6-16-32-27)22(26-10-5-15-31-26)17-20-7-2-12-28-20/h2-16,19,21-23H,17-18H2,1H3
InChIKeyRYFIGRQVXMIVAB-UHFFFAOYSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.84
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
2-(2-methylbut-3-ynyl)thiophene
CID 83934797
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene?
The IUPAC name of 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene (CID 175177834) is 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene.
What is the SMILES notation for 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene?
The canonical SMILES for 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene is CC(c1cccs1)C(CC(c1cccs1)C(Cc1cccs1)c1cccs1)c1cccs1.
What is the InChIKey of 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene?
The InChIKey is RYFIGRQVXMIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26S5/c1-19(24-8-3-13-29-24)21(25-9-4-14-30-25)18-23(27-11-6-16-32-27)22(26-10-5-15-31-26)17-20-7-2-12-28-20/h2-16,19,21-23H,17-18H2,1H3.
What are the key properties of 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene?
2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene has a molecular weight of 510.84 g/mol, XLogP of 10.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene is sourced from PubChem (CID 175177834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).