2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene

C30H20S6 — CID 163789592

IUPAC2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene
SMILESC1=C(c2ccsc2-c2cc(-c3sccc3-c3cccs3)cc(-c3sccc3-c3cccs3)c2)SCC1
InChIInChI=1S/C30H20S6/c1-4-25(31-10-1)22-7-13-34-28(22)19-16-20(29-23(8-14-35-29)26-5-2-11-32-26)18-21(17-19)30-24(9-15-36-30)27-6-3-12-33-27/h1-2,4-11,13-18H,3,12H2
InChIKeyMVNCWDVVAYFXQP-UHFFFAOYSA-N
MW572.89 g/mol
LogP11.81
Rot. Bonds6

About 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene

2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene (PubChem CID 163789592) has the molecular formula C30H20S6 and a molecular weight of 572.89 g/mol. Its IUPAC name is 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene.

Molecular Properties

Compound Name2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene
PubChem CID163789592
Molecular FormulaC30H20S6
Molecular Weight572.89 g/mol
Exact Mass571.99
IUPAC Name2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene
SMILESC1=C(c2ccsc2-c2cc(-c3sccc3-c3cccs3)cc(-c3sccc3-c3cccs3)c2)SCC1
InChIInChI=1S/C30H20S6/c1-4-25(31-10-1)22-7-13-34-28(22)19-16-20(29-23(8-14-35-29)26-5-2-11-32-26)18-21(17-19)30-24(9-15-36-30)27-6-3-12-33-27/h1-2,4-11,13-18H,3,12H2
InChIKeyMVNCWDVVAYFXQP-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.89
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene
CID 141454050
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
CID 58130450
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 69411648
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
5-thiophen-2-yl-2-benzofuran-1,3-dione
CID 16768871
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(3,5-dibromophenyl)thiophene
CID 19006176
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene?
The IUPAC name of 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene (CID 163789592) is 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene.
What is the SMILES notation for 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene?
The canonical SMILES for 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene is C1=C(c2ccsc2-c2cc(-c3sccc3-c3cccs3)cc(-c3sccc3-c3cccs3)c2)SCC1.
What is the InChIKey of 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene?
The InChIKey is MVNCWDVVAYFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S6/c1-4-25(31-10-1)22-7-13-34-28(22)19-16-20(29-23(8-14-35-29)26-5-2-11-32-26)18-21(17-19)30-24(9-15-36-30)27-6-3-12-33-27/h1-2,4-11,13-18H,3,12H2.
What are the key properties of 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene?
2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene has a molecular weight of 572.89 g/mol, XLogP of 11.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene is sourced from PubChem (CID 163789592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).