(6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene

C46H56S4 — CID 101399196

IUPAC(6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene
SMILESCCCCC1C/C(=C2/CC(CCCC)c3cc(/C=C/c4cc5c(s4)/C(=C4\CC(CCCC)c6ccsc64)CC5CCCC)sc32)c2sccc21
InChIInChI=1S/C46H56S4/c1-5-9-13-29-23-39(43-35(29)19-21-47-43)41-25-31(15-11-7-3)37-27-33(49-45(37)41)17-18-34-28-38-32(16-12-8-4)26-42(46(38)50-34)40-24-30(14-10-6-2)36-20-22-48-44(36)40/h17-22,27-32H,5-16,23-26H2,1-4H3/b18-17+,41-39+,42-40+
InChIKeyMJRXKSJIPRRJDP-MYMDCGCPSA-N
MW737.22 g/mol
LogP16.63
Rot. Bonds14

About (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene

(6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene (PubChem CID 101399196) has the molecular formula C46H56S4 and a molecular weight of 737.22 g/mol. Its IUPAC name is (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name(6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene
PubChem CID101399196
Molecular FormulaC46H56S4
Molecular Weight737.22 g/mol
Exact Mass736.33
IUPAC Name(6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene
SMILESCCCCC1C/C(=C2/CC(CCCC)c3cc(/C=C/c4cc5c(s4)/C(=C4\CC(CCCC)c6ccsc64)CC5CCCC)sc32)c2sccc21
InChIInChI=1S/C46H56S4/c1-5-9-13-29-23-39(43-35(29)19-21-47-43)41-25-31(15-11-7-3)37-27-33(49-45(37)41)17-18-34-28-38-32(16-12-8-4)26-42(46(38)50-34)40-24-30(14-10-6-2)36-20-22-48-44(36)40/h17-22,27-32H,5-16,23-26H2,1-4H3/b18-17+,41-39+,42-40+
InChIKeyMJRXKSJIPRRJDP-MYMDCGCPSA-N
XLogP16.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.22
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
The IUPAC name of (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene (CID 101399196) is (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene.
What is the SMILES notation for (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
The canonical SMILES for (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene is CCCCC1C/C(=C2/CC(CCCC)c3cc(/C=C/c4cc5c(s4)/C(=C4\CC(CCCC)c6ccsc64)CC5CCCC)sc32)c2sccc21.
What is the InChIKey of (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
The InChIKey is MJRXKSJIPRRJDP-MYMDCGCPSA-N. The full InChI is InChI=1S/C46H56S4/c1-5-9-13-29-23-39(43-35(29)19-21-47-43)41-25-31(15-11-7-3)37-27-33(49-45(37)41)17-18-34-28-38-32(16-12-8-4)26-42(46(38)50-34)40-24-30(14-10-6-2)36-20-22-48-44(36)40/h17-22,27-32H,5-16,23-26H2,1-4H3/b18-17+,41-39+,42-40+.
What are the key properties of (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
(6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene has a molecular weight of 737.22 g/mol, XLogP of 16.63, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-butyl-2-[(E)-2-[(6E)-4-butyl-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophen-2-yl]ethenyl]-6-(4-butyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene is sourced from PubChem (CID 101399196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).